data_6y06_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6y06 _Structure_validation_residue.Date_analyzed 2020-03-13 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 ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.776 0.322 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.1 pt . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.62 0.248 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.8 tt . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.657 0.265 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.411 0.148 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.619 0.247 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.919 0.39 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.6 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.678 0.275 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 tt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.721 0.296 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.684 0.278 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.738 0.304 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.79 146.69 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.85 144.73 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.19 148.67 26.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.3 157.29 16.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.42 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 151.12 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -54.49 -41.27 69.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.0 -40.63 98.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.32 -39.48 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.19 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -61.28 -39.22 89.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.044 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.24 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.803 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -67.18 -35.68 80.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.51 -43.79 80.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.15 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.03 -41.05 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.116 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -73.85 -44.1 56.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.122 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -94.08 -80.8 0.39 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.63 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.44 -33.83 75.95 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.41 26.24 44.13 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 121.33 -0.462 . . . . 0.0 112.192 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -125.62 93.25 3.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 117.329 0.564 . . . . 0.0 110.4 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -115.99 121.68 42.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 0.0 110.325 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.42 -34.85 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -147.03 166.03 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.235 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.96 166.22 54.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.1 pt -83.93 -30.08 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.824 177.793 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.08 144.56 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 142.26 57.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.538 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.1 145.81 55.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.99 138.25 36.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.83 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.349 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.65 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.89 -40.13 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.55 -39.88 77.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.067 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -61.36 -40.8 95.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.946 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.2 -42.97 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.282 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.4 -40.5 97.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.68 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.85 -41.96 96.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.773 0.321 . . . . 0.0 110.642 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -65.81 -47.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -43.6 96.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -102.47 8.33 40.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.87 -57.42 3.08 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.19 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -78.19 128.78 34.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.498 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -52.76 -31.23 37.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.795 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.32 127.54 54.39 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.14 169.93 53.58 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.037 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.1 -27.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.04 20.99 18.01 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.577 177.594 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.33 142.56 33.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.4 144.66 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.76 33.56 3.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 162.32 40.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.74 0.305 . . . . 0.0 110.454 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.62 146.65 24.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -56.18 -38.09 70.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.163 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.613 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.59 -40.97 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.641 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -63.69 -40.79 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.23 88.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.148 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.41 -40.68 70.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.41 -40.23 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.701 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.69 -32.26 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -55.14 -40.65 70.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.776 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -98.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.622 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.67 -76.47 0.24 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -132.27 148.45 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.412 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -118.26 -176.99 3.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -54.49 -36.96 64.72 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -120.37 119.94 34.56 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.37 151.44 40.05 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.84 -39.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -58.18 -42.39 85.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.767 0.318 . . . . 0.0 110.219 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.124 173.615 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.55 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.395 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.32 143.78 43.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.431 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.67 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.27 145.39 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.563 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.74 109.61 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.296 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -58.76 -42.69 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -65.24 -36.92 85.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.176 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.33 -38.54 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.974 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.05 -38.38 88.54 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.983 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.94 77.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.07 -39.86 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.352 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.05 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.084 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -60.31 -41.27 93.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.992 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -60.11 -41.33 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.625 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.7 -32.26 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.938 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -1.65 59.39 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 121.207 -0.52 . . . . 0.0 113.031 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -146.92 155.53 42.36 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.802 0.801 . . . . 0.0 110.093 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.49 95.71 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.406 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -63.55 -38.93 92.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.211 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -128.18 144.8 51.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.5 172.91 45.33 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -56.57 -42.08 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -116.74 36.31 4.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.913 0.387 . . . . 0.0 111.519 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.286 177.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.61 135.88 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.01 144.36 37.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.67 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.88 139.73 39.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 118.08 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.28 -42.01 96.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.399 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.68 -39.66 94.88 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.873 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.13 -41.69 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.0 p -67.78 -28.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.094 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.63 90.36 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.107 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -101.68 -78.25 0.53 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.643 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.71 -35.6 79.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.428 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -63.25 -44.54 94.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.064 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.87 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.566 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.43 14.18 57.47 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.021 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -60.53 -33.2 72.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.729 0.765 . . . . 0.0 111.571 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -55.12 127.2 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.163 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -97.05 11.09 37.38 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -113.52 136.2 53.06 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 144.32 48.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.9 tt -70.0 -31.25 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -55.15 -41.51 71.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.539 0.209 . . . . 0.0 111.113 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 tptm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.54 32.44 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.667 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.37 141.42 35.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.44 97.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.55 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.578 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.08 141.75 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -55.91 -38.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.221 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -58.22 -40.03 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.694 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.87 -40.04 61.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -61.7 -39.91 93.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.09 89.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.038 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.85 -45.18 83.15 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.87 -39.38 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.787 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.15 -35.97 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.294 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -65.46 -47.33 76.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.653 0.264 . . . . 0.0 111.711 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -60.5 -46.65 89.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.631 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.31 -13.33 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.23 7.16 88.07 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.812 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -158.9 158.51 33.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.784 0.792 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -132.48 131.05 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.334 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -54.06 -32.61 55.11 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -105.84 136.91 44.62 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.26 153.74 41.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.49 -43.92 96.92 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -91.64 -18.9 23.31 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 178.528 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.732 0.301 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.94 150.87 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.597 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.13 143.0 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 35.96 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.83 83.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.23 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.51 141.74 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -57.74 -40.32 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -60.75 -40.57 92.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.693 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.64 -41.69 30.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.625 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -62.34 -46.45 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.66 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.08 -39.87 93.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.0 tp -58.31 -40.15 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.81 -43.65 75.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.77 -42.16 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.566 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -94.46 -77.55 0.46 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.358 -172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.52 -39.33 74.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.75 0.309 . . . . 0.0 111.658 -176.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.91 39.49 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -109.6 15.43 22.88 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -91.29 127.91 36.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.04 0.382 . . . . 0.0 110.637 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -94.49 21.0 7.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.08 140.16 53.15 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.794 0.331 . . . . 0.0 110.65 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.68 34.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm -58.47 -50.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -61.92 -40.45 95.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.789 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.536 -178.286 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.58 26.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.26 153.12 47.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.74 140.37 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.24 166.87 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.381 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 157.04 5.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.21 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -53.9 -38.13 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.199 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.15 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.487 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.34 -40.0 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.523 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -60.76 -41.6 95.77 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.454 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.09 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -105.92 -76.28 0.61 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.63 -55.21 34.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -168.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.16 -34.74 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.564 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -60.89 -47.21 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.634 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -59.83 -46.13 90.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.339 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.28 -29.44 70.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.831 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.16 31.68 7.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -109.16 27.1 9.86 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.813 0.307 . . . . 0.0 111.64 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -83.69 92.64 7.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -65.53 -35.89 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.651 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -116.82 142.2 47.23 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.54 158.67 53.32 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp -72.19 -29.78 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.75 -40.64 72.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.62 0.247 . . . . 0.0 110.969 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 tptt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.549 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 145.39 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.41 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.99 134.83 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -149.1 148.45 29.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.29 85.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.63 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -65.1 -37.22 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.188 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -59.88 -41.18 90.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.56 -37.57 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.293 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -60.41 -35.58 76.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.143 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.96 97.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -59.56 -37.42 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.3 tp -59.87 -38.04 81.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.204 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.61 -39.3 93.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.393 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -62.37 -48.71 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.287 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -62.19 -45.71 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.016 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.78 25.39 58.36 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.164 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -132.89 159.38 40.05 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.176 0.488 . . . . 0.0 109.975 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.32 147.65 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 68.09 80.76 0.2 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.729 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -136.46 118.62 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.495 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.23 63.62 5.0 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.6 pt -85.84 -7.86 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -57.75 -41.63 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.094 0.407 . . . . 0.0 110.522 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.637 -179.634 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.01 160.79 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.66 161.88 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.05 149.14 12.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 110.95 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.99 156.9 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.95 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.27 149.05 10.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.013 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -55.02 -41.54 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.02 -38.88 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.09 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.14 -41.92 89.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -65.07 -36.28 83.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.366 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.48 83.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 HG21 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.3 -39.46 82.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.26 -35.32 79.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.653 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.85 -42.69 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.14 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -79.23 -43.8 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -59.07 -38.33 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.07 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -109.31 162.66 14.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.918 0.389 . . . . 0.0 110.778 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.55 -176.47 49.07 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.956 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -59.34 -27.75 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -68.14 1.18 2.98 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -109.46 157.65 18.75 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.227 0.467 . . . . 0.0 109.797 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.71 137.46 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.952 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.21 168.73 30.02 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt -94.18 -32.37 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -66.7 -41.55 87.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.823 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.09 146.31 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.02 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 149.13 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 167.61 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.07 4.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -54.67 -39.54 68.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -62.65 -44.32 96.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 110.572 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.22 -38.16 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.205 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -56.99 -38.95 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.105 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.17 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.893 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -113.05 -85.78 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 82.6 mt -53.55 -43.43 68.41 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 121.853 -0.529 . . . . 0.0 111.819 -168.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.8 -37.13 83.95 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.184 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -80.68 -50.91 9.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -56.33 -46.29 79.96 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.071 -173.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.98 -27.71 69.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.24 2.87 56.76 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 121.345 -0.455 . . . . 0.0 113.297 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.22 -37.8 78.38 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 117.89 0.845 . . . . 0.0 111.034 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.67 128.47 53.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -105.53 14.08 29.09 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -87.27 154.0 21.04 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.006 0.366 . . . . 0.0 110.53 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.71 167.17 53.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 tt -57.21 -30.79 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -119.48 27.86 8.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.6 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.11 144.16 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.14 148.96 48.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.58 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.73 154.1 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.65 156.42 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.603 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 150.79 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -55.93 -38.76 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.48 -39.5 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.821 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.58 -38.96 84.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.96 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -62.58 -38.99 92.24 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.976 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.81 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.014 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.1 -73.09 0.67 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.9 mt -52.43 -57.96 8.22 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -170.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.17 -35.83 76.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.604 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -60.01 -46.78 88.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.039 -176.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.79 -45.32 86.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.96 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.96 -33.62 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.527 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.45 56.66 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.248 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.11 -39.84 83.52 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 117.989 0.894 . . . . 0.0 110.624 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -108.77 117.14 33.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.278 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.87 1.67 55.35 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -65.23 142.09 58.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.231 0.468 . . . . 0.0 110.553 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.28 154.03 29.71 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.42 -29.01 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -54.04 156.2 3.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.678 -178.472 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.57 144.34 57.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.136 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.26 145.43 53.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.629 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 150.37 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.83 91.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -106.12 137.04 44.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.22 -37.74 88.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -59.75 -39.47 84.9 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.725 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.23 -40.4 82.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.539 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -60.45 -39.12 86.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.01 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.616 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -89.91 -88.7 0.16 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.97 -43.3 88.29 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -169.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.18 -35.89 82.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.736 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -61.1 -49.89 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.34 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 mtt85 -62.98 -41.27 99.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.925 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -60.92 -32.28 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.567 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.47 -11.14 63.24 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.996 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.11 -36.5 75.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.892 0.846 . . . . 0.0 111.282 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.05 107.49 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 111.108 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -106.84 -3.65 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.3 146.65 53.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.172 0.442 . . . . 0.0 110.402 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.5 168.72 46.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt -55.32 -43.67 72.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -95.86 18.1 13.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.518 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.38 144.56 56.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.82 152.97 40.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.26 139.48 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.645 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.6 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.254 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 135.71 57.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 110.746 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -63.47 -38.96 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -59.35 -45.88 90.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.731 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.11 -39.96 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.763 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 m -61.62 -39.96 93.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.13 95.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.68 -38.84 89.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.83 -38.11 86.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.108 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -39.03 93.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.975 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -63.77 -51.58 64.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 110.709 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -70.24 -46.18 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.404 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -91.67 -63.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.477 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.23 -52.58 0.63 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.621 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -124.8 150.56 46.21 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -116.93 145.48 43.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -54.16 -31.17 51.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.696 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -122.18 142.09 50.78 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 172.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.21 173.55 53.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.59 -31.53 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.15 30.58 6.07 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -177.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.489 177.187 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.776 0.322 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 15' ' ' LEU . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' TYR . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.728 ' O ' HG22 ' A' ' 32' ' ' THR . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 48' ' ' PHE . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' VAL . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 115' ' ' ILE . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ILE . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 104' ' ' MET . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.435 ' HB2' HD13 ' A' ' 87' ' ' LEU . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 108' ' ' ILE . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 105' ' ' VAL . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 48' ' ' PHE . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' A' ' 76' ' ' ILE . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 76' ' ' ILE . 48.1 pt . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.62 0.248 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HE1' ' A' ' 41' ' ' PHE . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 92' ' ' LEU . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' PHE . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 50' ' ' THR . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 53' ' ' VAL . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 46' ' ' ALA . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 115' ' ' ILE . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 49' ' ' VAL . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 11' ' ' ALA . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 72' ' ' GLU . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 71' ' ' THR . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 76' ' ' ILE . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 80' ' ' VAL . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 87' ' ' LEU . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 35' ' ' ILE . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 101' ' ' ILE . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 105' ' ' VAL . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 115' ' ' ILE . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.8 tt . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.657 0.265 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 48' ' ' PHE . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 38' ' ' LEU . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' ILE . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 84' ' ' LEU . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 15' ' ' LEU . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 115' ' ' ILE . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 73' ' ' ILE . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 73' ' ' ILE . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 111' ' ' LEU . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 108' ' ' ILE . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 87' ' ' LEU . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB2' ' HE3' ' A' ' 104' ' ' MET . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 101' ' ' ILE . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.501 HG21 HD21 ' A' ' 84' ' ' LEU . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 80' ' ' VAL . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.477 HG22 HG21 ' A' ' 52' ' ' VAL . 74.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG23 ' HE1' ' A' ' 41' ' ' PHE . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.673 HG21 ' HE3' ' A' ' 96' ' ' LYS . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' THR . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 87' ' ' LEU . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 37' ' ' GLU . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.491 ' HE1' HG23 ' A' ' 22' ' ' ILE . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 52' ' ' VAL . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' VAL . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' PHE . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 70' ' ' ARG . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 115' ' ' ILE . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 111' ' ' LEU . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 108' ' ' ILE . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 38' ' ' LEU . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 92' ' ' LEU . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HD13 ' A' ' 38' ' ' LEU . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 88' ' ' THR . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.673 ' HE3' HG21 ' A' ' 35' ' ' ILE . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 105' ' ' VAL . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 101' ' ' ILE . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.56 HG12 HD21 ' A' ' 84' ' ' LEU . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 80' ' ' VAL . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 76' ' ' ILE . 46.3 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.411 0.148 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.635 ' O ' HD12 ' A' ' 22' ' ' ILE . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 113' ' ' ILE . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 HD21 ' OG1' ' A' ' 88' ' ' THR . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 84' ' ' LEU . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' PHE . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 52' ' ' VAL . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 53' ' ' VAL . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 48' ' ' PHE . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 49' ' ' VAL . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 80' ' ' VAL . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.652 HD21 ' HE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.548 ' OG1' HD21 ' A' ' 38' ' ' LEU . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 101' ' ' ILE . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.404 HD11 ' HE1' ' A' ' 19' ' ' MET . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.469 ' HB ' HD13 ' A' ' 76' ' ' ILE . 19.9 tt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.619 0.247 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 113' ' ' ILE . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 92' ' ' LEU . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HE1' HD22 ' A' ' 112' ' ' LEU . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 45' ' ' VAL . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 73' ' ' ILE . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 45' ' ' VAL . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 35' ' ' ILE . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 101' ' ' ILE . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 105' ' ' VAL . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 112' ' ' LEU . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 ' SD ' ' A' ' 19' ' ' MET . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.919 0.39 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.77 ' HA ' HE21 ' A' ' 16' ' ' GLN . 0.7 OUTLIER -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 101' ' ' ILE . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 45' ' ' VAL . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 41' ' ' PHE . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 52' ' ' VAL . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 49' ' ' VAL . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' THR . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' VAL . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 76' ' ' ILE . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.607 HD12 ' H ' ' A' ' 101' ' ' ILE . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 101' ' ' ILE . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.489 ' CB ' HG22 ' A' ' 80' ' ' VAL . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.561 HG23 ' HE1' ' A' ' 41' ' ' PHE . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.792 HD11 HG23 ' A' ' 88' ' ' THR . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' ILE . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 87' ' ' LEU . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE1' HG23 ' A' ' 22' ' ' ILE . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 84' ' ' LEU . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 49' ' ' VAL . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 69' ' ' GLY . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 80' ' ' VAL . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 73' ' ' ILE . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 45' ' ' VAL . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.676 HD23 HD11 ' A' ' 38' ' ' LEU . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.792 HG23 HD11 ' A' ' 35' ' ' ILE . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.606 HD12 ' H ' ' A' ' 101' ' ' ILE . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 41' ' ' PHE . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 22' ' ' ILE . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 49' ' ' VAL . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' HD22 ' A' ' 112' ' ' LEU . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 45' ' ' VAL . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.786 HG21 HD12 ' A' ' 115' ' ' ILE . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 HG13 ' A' ' 49' ' ' VAL . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HB2' HD13 ' A' ' 111' ' ' LEU . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 87' ' ' LEU . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 101' ' ' ILE . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 105' ' ' VAL . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 79' ' ' GLU . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 48' ' ' PHE . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.786 HD12 HG21 ' A' ' 52' ' ' VAL . 46.6 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 51' ' ' THR . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HD12 ' A' ' 22' ' ' ILE . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' THR . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 30' ' ' SER . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.648 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 22' ' ' ILE . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.59 ' NZ ' HD23 ' A' ' 85' ' ' LEU . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 84' ' ' LEU . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 15' ' ' LEU . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 55' ' ' LEU . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 73' ' ' ILE . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 80' ' ' VAL . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 76' ' ' ILE . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 45' ' ' VAL . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.59 HD23 ' NZ ' ' A' ' 42' ' ' LYS . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 92' ' ' LEU . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 88' ' ' THR . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' LEU . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' ILE . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' ILE . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.678 0.275 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.412 ' OG1' HG22 ' A' ' 34' ' ' THR . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' OG1' ' A' ' 32' ' ' THR . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 87' ' ' LEU . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 52' ' ' VAL . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 53' ' ' VAL . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 48' ' ' PHE . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 49' ' ' VAL . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 80' ' ' VAL . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 76' ' ' ILE . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 38' ' ' LEU . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 101' ' ' ILE . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 115' ' ' ILE . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.6 tt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.721 0.296 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 52' ' ' VAL . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 49' ' ' VAL . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 52' ' ' VAL . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 45' ' ' VAL . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 48' ' ' PHE . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' VAL . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 11' ' ' ALA . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 80' ' ' VAL . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 76' ' ' ILE . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 87' ' ' LEU . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 108' ' ' ILE . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 105' ' ' VAL . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.684 0.278 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 84' ' ' LEU . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 112' ' ' LEU . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 112' ' ' LEU . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 71' ' ' THR . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.652 HG23 HG22 ' A' ' 115' ' ' ILE . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 49' ' ' VAL . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.539 HG22 HD23 ' A' ' 111' ' ' LEU . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.48 ' HA ' HD12 ' A' ' 84' ' ' LEU . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD11 HG11 ' A' ' 45' ' ' VAL . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 105' ' ' VAL . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 80' ' ' VAL . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 48' ' ' PHE . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 HG23 ' A' ' 73' ' ' ILE . 71.5 mt . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.738 0.304 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 113' ' ' ILE . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HE2' ' A' ' 41' ' ' PHE . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HB ' HG11 ' A' ' 91' ' ' VAL . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HE2' HG23 ' A' ' 22' ' ' ILE . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 112' ' ' LEU . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 76' ' ' ILE . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 87' ' ' LEU . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 101' ' ' ILE . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 98' ' ' GLY . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 26' ' ' ALA . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 103' ' ' ASN . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 ' CE ' ' A' ' 19' ' ' MET . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.79 146.69 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.85 144.73 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.19 148.67 26.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.3 157.29 16.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.42 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 151.12 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -54.49 -41.27 69.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.0 -40.63 98.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.32 -39.48 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.19 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -61.28 -39.22 89.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.044 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.24 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.803 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 15' ' ' LEU . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' TYR . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.728 ' O ' HG22 ' A' ' 32' ' ' THR . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 48' ' ' PHE . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' VAL . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -67.18 -35.68 80.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 56' ' ' ALA . 74.7 mt -56.51 -43.79 80.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.15 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.03 -41.05 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.116 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -73.85 -44.1 56.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.122 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -94.08 -80.8 0.39 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.63 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.44 -33.83 75.95 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.41 26.24 44.13 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 121.33 -0.462 . . . . 0.0 112.192 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -125.62 93.25 3.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 117.329 0.564 . . . . 0.0 110.4 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -115.99 121.68 42.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 0.0 110.325 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.42 -34.85 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -147.03 166.03 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.235 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.96 166.22 54.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 115' ' ' ILE . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ILE . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 104' ' ' MET . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.435 ' HB2' HD13 ' A' ' 87' ' ' LEU . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 108' ' ' ILE . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 105' ' ' VAL . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 48' ' ' PHE . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' A' ' 76' ' ' ILE . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 76' ' ' ILE . 48.1 pt -83.93 -30.08 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.824 177.793 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.08 144.56 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 142.26 57.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.538 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.1 145.81 55.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.99 138.25 36.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.83 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.349 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.65 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.89 -40.13 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.55 -39.88 77.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.067 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -61.36 -40.8 95.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.946 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . -73.2 -42.97 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.282 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HE1' ' A' ' 41' ' ' PHE . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 92' ' ' LEU . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' PHE . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 50' ' ' THR . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 53' ' ' VAL . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 46' ' ' ALA . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 115' ' ' ILE . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 49' ' ' VAL . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 11' ' ' ALA . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.4 -40.5 97.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.68 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.85 -41.96 96.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.773 0.321 . . . . 0.0 110.642 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -65.81 -47.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -43.6 96.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -102.47 8.33 40.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.87 -57.42 3.08 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.19 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -78.19 128.78 34.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.498 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -52.76 -31.23 37.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.795 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -109.32 127.54 54.39 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.14 169.93 53.58 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.037 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 72' ' ' GLU . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 71' ' ' THR . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 68' ' ' ARG . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 76' ' ' ILE . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 80' ' ' VAL . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 87' ' ' LEU . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 35' ' ' ILE . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 101' ' ' ILE . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 105' ' ' VAL . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 115' ' ' ILE . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 117' ' ' LYS . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.8 tt -59.1 -27.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.04 20.99 18.01 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' CE ' HG22 ' A' ' 113' ' ' ILE . 73.2 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.577 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.33 142.56 33.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.4 144.66 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.76 33.56 3.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 162.32 40.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.74 0.305 . . . . 0.0 110.454 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.62 146.65 24.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -56.18 -38.09 70.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.163 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.613 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.59 -40.97 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.641 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -63.69 -40.79 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.23 88.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.148 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 48' ' ' PHE . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 38' ' ' LEU . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' ILE . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 84' ' ' LEU . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 15' ' ' LEU . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 115' ' ' ILE . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 73' ' ' ILE . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.41 -40.68 70.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.41 -40.23 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.701 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.69 -32.26 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -55.14 -40.65 70.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.776 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -98.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.622 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.67 -76.47 0.24 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -132.27 148.45 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.412 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -118.26 -176.99 3.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -54.49 -36.96 64.72 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -120.37 119.94 34.56 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.37 151.44 40.05 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 73' ' ' ILE . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 111' ' ' LEU . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 108' ' ' ILE . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 87' ' ' LEU . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB2' ' HE3' ' A' ' 104' ' ' MET . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 101' ' ' ILE . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.501 HG21 HD21 ' A' ' 84' ' ' LEU . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 80' ' ' VAL . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.477 HG22 HG21 ' A' ' 52' ' ' VAL . 74.5 mt -63.84 -39.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -58.18 -42.39 85.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.767 0.318 . . . . 0.0 110.219 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.124 173.615 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.55 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.395 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.32 143.78 43.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.431 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.67 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.27 145.39 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.563 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.74 109.61 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.296 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -58.76 -42.69 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -65.24 -36.92 85.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.176 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.33 -38.54 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.974 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.05 -38.38 88.54 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.983 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.94 77.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG23 ' HE1' ' A' ' 41' ' ' PHE . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.673 HG21 ' HE3' ' A' ' 96' ' ' LYS . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' THR . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 87' ' ' LEU . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 37' ' ' GLU . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.491 ' HE1' HG23 ' A' ' 22' ' ' ILE . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 52' ' ' VAL . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' VAL . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' PHE . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.07 -39.86 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.352 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.05 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.084 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -60.31 -41.27 93.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.992 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -60.11 -41.33 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.625 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.7 -32.26 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.938 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -1.65 59.39 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 121.207 -0.52 . . . . 0.0 113.031 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -146.92 155.53 42.36 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.802 0.801 . . . . 0.0 110.093 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -107.49 95.71 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.406 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -63.55 -38.93 92.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.211 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -128.18 144.8 51.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.5 172.91 45.33 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 70' ' ' ARG . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 115' ' ' ILE . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 111' ' ' LEU . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 108' ' ' ILE . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 38' ' ' LEU . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 92' ' ' LEU . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HD13 ' A' ' 38' ' ' LEU . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 88' ' ' THR . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.673 ' HE3' HG21 ' A' ' 35' ' ' ILE . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 105' ' ' VAL . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 101' ' ' ILE . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.56 HG12 HD21 ' A' ' 84' ' ' LEU . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 80' ' ' VAL . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 76' ' ' ILE . 46.3 mm -56.57 -42.08 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -116.74 36.31 4.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.913 0.387 . . . . 0.0 111.519 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.286 177.74 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.61 135.88 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.01 144.36 37.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.67 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.88 139.73 39.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 118.08 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.28 -42.01 96.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.399 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.68 -39.66 94.88 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.873 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.13 -41.69 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.0 p -67.78 -28.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.094 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.63 90.36 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.107 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.635 ' O ' HD12 ' A' ' 22' ' ' ILE . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 113' ' ' ILE . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.548 HD21 ' OG1' ' A' ' 88' ' ' THR . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 84' ' ' LEU . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' PHE . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 52' ' ' VAL . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 53' ' ' VAL . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 48' ' ' PHE . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 49' ' ' VAL . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -101.68 -78.25 0.53 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.643 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.71 -35.6 79.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.428 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -63.25 -44.54 94.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.064 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.87 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.566 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.43 14.18 57.47 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.021 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -60.53 -33.2 72.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.729 0.765 . . . . 0.0 111.571 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -55.12 127.2 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.163 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -97.05 11.09 37.38 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -113.52 136.2 53.06 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 144.32 48.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 80' ' ' VAL . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.652 HD21 ' HE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.548 ' OG1' HD21 ' A' ' 38' ' ' LEU . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 101' ' ' ILE . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.404 HD11 ' HE1' ' A' ' 19' ' ' MET . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.469 ' HB ' HD13 ' A' ' 76' ' ' ILE . 19.9 tt -70.0 -31.25 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -55.15 -41.51 71.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.539 0.209 . . . . 0.0 111.113 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 tptm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.54 32.44 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.667 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.37 141.42 35.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.44 97.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.55 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.578 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.08 141.75 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -55.91 -38.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.221 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -58.22 -40.03 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.694 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.87 -40.04 61.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -61.7 -39.91 93.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.09 89.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.038 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 113' ' ' ILE . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 92' ' ' LEU . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HE1' HD22 ' A' ' 112' ' ' LEU . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 45' ' ' VAL . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.85 -45.18 83.15 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.87 -39.38 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.787 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.15 -35.97 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.294 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -65.46 -47.33 76.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.653 0.264 . . . . 0.0 111.711 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -60.5 -46.65 89.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.631 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.31 -13.33 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.23 7.16 88.07 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.812 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -158.9 158.51 33.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.784 0.792 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -132.48 131.05 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.334 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -54.06 -32.61 55.11 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -105.84 136.91 44.62 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -77.26 153.74 41.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 73' ' ' ILE . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 45' ' ' VAL . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 35' ' ' ILE . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 101' ' ' ILE . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 105' ' ' VAL . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 112' ' ' LEU . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 ' SD ' ' A' ' 19' ' ' MET . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.49 -43.92 96.92 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -91.64 -18.9 23.31 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 178.528 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.732 0.301 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.94 150.87 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.597 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.13 143.0 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 35.96 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.83 83.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.23 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.51 141.74 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -57.74 -40.32 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -60.75 -40.57 92.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.693 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.64 -41.69 30.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.625 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -62.34 -46.45 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.66 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.77 ' HA ' HE21 ' A' ' 16' ' ' GLN . 0.7 OUTLIER -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 101' ' ' ILE . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 45' ' ' VAL . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 41' ' ' PHE . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 52' ' ' VAL . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 49' ' ' VAL . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.08 -39.87 93.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 63' ' ' PHE . 14.0 tp -58.31 -40.15 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.81 -43.65 75.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.77 -42.16 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.566 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -94.46 -77.55 0.46 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.358 -172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HD2' HD12 ' A' ' 59' ' ' LEU . 25.2 m-85 -70.52 -39.33 74.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.75 0.309 . . . . 0.0 111.658 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.91 39.49 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -109.6 15.43 22.88 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -91.29 127.91 36.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.04 0.382 . . . . 0.0 110.637 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -94.49 21.0 7.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.08 140.16 53.15 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.794 0.331 . . . . 0.0 110.65 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.68 34.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' THR . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' VAL . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 76' ' ' ILE . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.607 HD12 ' H ' ' A' ' 101' ' ' ILE . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 101' ' ' ILE . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.489 ' CB ' HG22 ' A' ' 80' ' ' VAL . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm -58.47 -50.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -61.92 -40.45 95.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.789 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.536 -178.286 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.58 26.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.26 153.12 47.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.74 140.37 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 9' ' ' GLU . . . -162.24 166.87 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.381 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 157.04 5.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.21 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -53.9 -38.13 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.199 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.15 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.487 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 96.2 mt-10 -71.34 -40.0 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.523 -177.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -60.76 -41.6 95.77 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.454 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.09 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.561 HG23 ' HE1' ' A' ' 41' ' ' PHE . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.792 HD11 HG23 ' A' ' 88' ' ' THR . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' ILE . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 87' ' ' LEU . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE1' HG23 ' A' ' 22' ' ' ILE . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 84' ' ' LEU . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 49' ' ' VAL . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 59' ' ' LEU . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -105.92 -76.28 0.61 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD12 HD23 ' A' ' 55' ' ' LEU . 86.9 mt -55.63 -55.21 34.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -168.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.16 -34.74 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.564 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -60.89 -47.21 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.634 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -59.83 -46.13 90.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.339 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.28 -29.44 70.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.831 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.16 31.68 7.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -109.16 27.1 9.86 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.813 0.307 . . . . 0.0 111.64 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 68' ' ' ARG . 45.7 t30 -83.69 92.64 7.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -176.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -65.53 -35.89 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.651 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 47.0 mmm-85 -116.82 142.2 47.23 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -174.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -72.54 158.67 53.32 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 69' ' ' GLY . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 80' ' ' VAL . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 73' ' ' ILE . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 45' ' ' VAL . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.676 HD23 HD11 ' A' ' 38' ' ' LEU . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.792 HG23 HD11 ' A' ' 35' ' ' ILE . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp -72.19 -29.78 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.75 -40.64 72.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.62 0.247 . . . . 0.0 110.969 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 tptt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.549 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 145.39 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.41 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.99 134.83 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' HB3' ' HG2' ' A' ' 7' ' ' ARG . . . -149.1 148.45 29.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.29 85.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.63 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' HB3' ' A' ' 4' ' ' ALA . 9.1 ptm180 -65.1 -37.22 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.188 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -59.88 -41.18 90.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.56 -37.57 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.293 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -60.41 -35.58 76.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.143 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.96 97.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 41' ' ' PHE . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 22' ' ' ILE . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 49' ' ' VAL . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' HD22 ' A' ' 112' ' ' LEU . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 45' ' ' VAL . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.786 HG21 HD12 ' A' ' 115' ' ' ILE . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -59.56 -37.42 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 63' ' ' PHE . 23.3 tp -59.87 -38.04 81.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.204 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.61 -39.3 93.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.393 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -62.37 -48.71 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.287 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -62.19 -45.71 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.016 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 59' ' ' LEU . 7.2 m-85 -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.78 25.39 58.36 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.164 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -132.89 159.38 40.05 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.176 0.488 . . . . 0.0 109.975 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.32 147.65 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 68.09 80.76 0.2 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.729 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -136.46 118.62 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.495 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.23 63.62 5.0 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 HG13 ' A' ' 49' ' ' VAL . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HB2' HD13 ' A' ' 111' ' ' LEU . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 87' ' ' LEU . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 101' ' ' ILE . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 105' ' ' VAL . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 79' ' ' GLU . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 48' ' ' PHE . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.786 HD12 HG21 ' A' ' 52' ' ' VAL . 46.6 pt -85.84 -7.86 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -57.75 -41.63 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.094 0.407 . . . . 0.0 110.522 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.637 -179.634 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.01 160.79 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.66 161.88 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.05 149.14 12.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 110.95 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.99 156.9 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.95 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.27 149.05 10.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.013 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -55.02 -41.54 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.02 -38.88 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.09 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.14 -41.92 89.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -65.07 -36.28 83.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.366 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.48 83.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 51' ' ' THR . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HD12 ' A' ' 22' ' ' ILE . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' THR . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 30' ' ' SER . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.648 ' H ' HD13 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 22' ' ' ILE . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.59 ' NZ ' HD23 ' A' ' 85' ' ' LEU . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 84' ' ' LEU . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 15' ' ' LEU . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 55' ' ' LEU . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.3 -39.46 82.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 55' ' ' LEU . 77.2 mt -67.26 -35.32 79.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.653 -177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.85 -42.69 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.14 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -79.23 -43.8 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -59.07 -38.33 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.07 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -109.31 162.66 14.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.918 0.389 . . . . 0.0 110.778 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.55 -176.47 49.07 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.956 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -59.34 -27.75 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -68.14 1.18 2.98 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -109.46 157.65 18.75 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.227 0.467 . . . . 0.0 109.797 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.71 137.46 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.952 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -93.21 168.73 30.02 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 73' ' ' ILE . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 80' ' ' VAL . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 76' ' ' ILE . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 45' ' ' VAL . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.59 HD23 ' NZ ' ' A' ' 42' ' ' LYS . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 92' ' ' LEU . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 88' ' ' THR . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' LEU . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' ILE . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' ILE . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt -94.18 -32.37 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -66.7 -41.55 87.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.823 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.09 146.31 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.02 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 149.13 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 167.61 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.07 4.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -54.67 -39.54 68.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -62.65 -44.32 96.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 110.572 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.22 -38.16 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.205 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -56.99 -38.95 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.105 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.17 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.893 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.412 ' OG1' HG22 ' A' ' 34' ' ' THR . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' OG1' ' A' ' 32' ' ' THR . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 87' ' ' LEU . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 52' ' ' VAL . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 53' ' ' VAL . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 48' ' ' PHE . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 49' ' ' VAL . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 59' ' ' LEU . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -113.05 -85.78 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 55' ' ' LEU . 82.6 mt -53.55 -43.43 68.41 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 121.853 -0.529 . . . . 0.0 111.819 -168.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.8 -37.13 83.95 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.184 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -80.68 -50.91 9.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -56.33 -46.29 79.96 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.071 -173.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.98 -27.71 69.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.24 2.87 56.76 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 121.345 -0.455 . . . . 0.0 113.297 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.22 -37.8 78.38 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 117.89 0.845 . . . . 0.0 111.034 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.67 128.47 53.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -105.53 14.08 29.09 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -87.27 154.0 21.04 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.006 0.366 . . . . 0.0 110.53 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.71 167.17 53.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 80' ' ' VAL . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 76' ' ' ILE . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 38' ' ' LEU . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 101' ' ' ILE . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 115' ' ' ILE . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.6 tt -57.21 -30.79 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -119.48 27.86 8.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.6 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.11 144.16 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.14 148.96 48.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.58 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.73 154.1 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.65 156.42 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.603 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 150.79 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -55.93 -38.76 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.48 -39.5 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.821 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.58 -38.96 84.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.96 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -62.58 -38.99 92.24 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.976 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -69.03 -37.81 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.014 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 52' ' ' VAL . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 49' ' ' VAL . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 52' ' ' VAL . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 45' ' ' VAL . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 48' ' ' PHE . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' VAL . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD23 HD12 ' A' ' 59' ' ' LEU . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.1 -73.09 0.67 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 HD23 ' A' ' 55' ' ' LEU . 85.9 mt -52.43 -57.96 8.22 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -170.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.17 -35.83 76.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.604 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -60.01 -46.78 88.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.039 -176.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.79 -45.32 86.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.96 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.96 -33.62 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.527 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.45 56.66 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.248 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.11 -39.84 83.52 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 117.989 0.894 . . . . 0.0 110.624 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -108.77 117.14 33.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.278 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.87 1.67 55.35 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -65.23 142.09 58.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.231 0.468 . . . . 0.0 110.553 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.28 154.03 29.71 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 80' ' ' VAL . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 76' ' ' ILE . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 87' ' ' LEU . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 108' ' ' ILE . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 105' ' ' VAL . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.42 -29.01 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -54.04 156.2 3.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.678 -178.472 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.57 144.34 57.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.136 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.26 145.43 53.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.629 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.49 ' HB3' ' OG ' ' A' ' 10' ' ' SER . . . -140.22 150.37 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.83 91.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' A' ' 8' ' ' ASP . . . -106.12 137.04 44.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.22 -37.74 88.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 23.5 p-10 -59.75 -39.47 84.9 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.725 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.23 -40.4 82.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.539 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.49 ' OG ' ' HB3' ' A' ' 4' ' ' ALA . 19.6 m -60.45 -39.12 86.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.01 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.616 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 84' ' ' LEU . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 112' ' ' LEU . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 112' ' ' LEU . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -89.91 -88.7 0.16 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.97 -43.3 88.29 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -169.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.18 -35.89 82.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.736 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -61.1 -49.89 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.34 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 mtt85 -62.98 -41.27 99.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.925 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -60.92 -32.28 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.567 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.47 -11.14 63.24 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.996 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.11 -36.5 75.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.892 0.846 . . . . 0.0 111.282 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.05 107.49 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 111.108 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -106.84 -3.65 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.3 146.65 53.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.172 0.442 . . . . 0.0 110.402 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.5 168.72 46.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 71' ' ' THR . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.652 HG23 HG22 ' A' ' 115' ' ' ILE . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 49' ' ' VAL . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.539 HG22 HD23 ' A' ' 111' ' ' LEU . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.48 ' HA ' HD12 ' A' ' 84' ' ' LEU . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD11 HG11 ' A' ' 45' ' ' VAL . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 105' ' ' VAL . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 80' ' ' VAL . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 48' ' ' PHE . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 HG23 ' A' ' 73' ' ' ILE . 71.5 mt -55.32 -43.67 72.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -95.86 18.1 13.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.518 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.38 144.56 56.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.82 152.97 40.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.26 139.48 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.645 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.6 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.254 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 135.71 57.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 110.746 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -63.47 -38.96 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -59.35 -45.88 90.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.731 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.11 -39.96 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.763 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 m -61.62 -39.96 93.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.13 95.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 113' ' ' ILE . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HE2' ' A' ' 41' ' ' PHE . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HB ' HG11 ' A' ' 91' ' ' VAL . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HE2' HG23 ' A' ' 22' ' ' ILE . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 112' ' ' LEU . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HA ' HD12 ' A' ' 59' ' ' LEU . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.68 -38.84 89.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.586 HD23 HH21 ' A' ' 62' ' ' ARG . 29.0 mt -61.83 -38.11 86.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.108 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -39.03 93.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.975 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -63.77 -51.58 64.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 110.709 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.586 HH21 HD23 ' A' ' 59' ' ' LEU . 81.7 mtm180 -70.24 -46.18 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.404 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -91.67 -63.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.477 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.23 -52.58 0.63 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.621 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -124.8 150.56 46.21 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -116.93 145.48 43.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -54.16 -31.17 51.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.696 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -122.18 142.09 50.78 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 172.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.21 173.55 53.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.635 HD12 ' H ' ' A' ' 76' ' ' ILE . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 87' ' ' LEU . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 101' ' ' ILE . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 98' ' ' GLY . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 26' ' ' ALA . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 103' ' ' ASN . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 ' CE ' ' A' ' 19' ' ' MET . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.59 -31.53 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.15 30.58 6.07 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -177.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.489 177.187 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.096 0 CA-C-O 120.776 0.322 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 15' ' ' LEU . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' TYR . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.728 ' O ' HG22 ' A' ' 32' ' ' THR . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 48' ' ' PHE . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' VAL . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 115' ' ' ILE . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ILE . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 104' ' ' MET . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.435 ' HB2' HD13 ' A' ' 87' ' ' LEU . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 108' ' ' ILE . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 105' ' ' VAL . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 48' ' ' PHE . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' A' ' 76' ' ' ILE . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 76' ' ' ILE . 48.1 pt . . . . . 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.62 0.248 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HE1' ' A' ' 41' ' ' PHE . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 92' ' ' LEU . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' PHE . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 50' ' ' THR . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 53' ' ' VAL . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 46' ' ' ALA . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 115' ' ' ILE . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 49' ' ' VAL . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 11' ' ' ALA . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 72' ' ' GLU . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 71' ' ' THR . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 76' ' ' ILE . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 80' ' ' VAL . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 87' ' ' LEU . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 35' ' ' ILE . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 101' ' ' ILE . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 105' ' ' VAL . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 115' ' ' ILE . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.8 tt . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.657 0.265 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 48' ' ' PHE . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 38' ' ' LEU . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' ILE . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 84' ' ' LEU . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 15' ' ' LEU . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 115' ' ' ILE . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 73' ' ' ILE . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 73' ' ' ILE . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 111' ' ' LEU . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 108' ' ' ILE . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 87' ' ' LEU . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB2' ' HE3' ' A' ' 104' ' ' MET . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 101' ' ' ILE . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.501 HG21 HD21 ' A' ' 84' ' ' LEU . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 80' ' ' VAL . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.477 HG22 HG21 ' A' ' 52' ' ' VAL . 74.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG23 ' HE1' ' A' ' 41' ' ' PHE . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.673 HG21 ' HE3' ' A' ' 96' ' ' LYS . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' THR . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 87' ' ' LEU . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 37' ' ' GLU . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.491 ' HE1' HG23 ' A' ' 22' ' ' ILE . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 52' ' ' VAL . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' VAL . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' PHE . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 70' ' ' ARG . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 115' ' ' ILE . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 111' ' ' LEU . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 108' ' ' ILE . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 38' ' ' LEU . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 92' ' ' LEU . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HD13 ' A' ' 38' ' ' LEU . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 88' ' ' THR . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.673 ' HE3' HG21 ' A' ' 35' ' ' ILE . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 105' ' ' VAL . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 101' ' ' ILE . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.56 HG12 HD21 ' A' ' 84' ' ' LEU . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 80' ' ' VAL . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 76' ' ' ILE . 46.3 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.411 0.148 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.635 ' O ' HD12 ' A' ' 22' ' ' ILE . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 113' ' ' ILE . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 HD21 ' OG1' ' A' ' 88' ' ' THR . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 84' ' ' LEU . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' PHE . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 52' ' ' VAL . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 53' ' ' VAL . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 48' ' ' PHE . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 49' ' ' VAL . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 80' ' ' VAL . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.652 HD21 ' HE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.548 ' OG1' HD21 ' A' ' 38' ' ' LEU . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 101' ' ' ILE . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.404 HD11 ' HE1' ' A' ' 19' ' ' MET . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.469 ' HB ' HD13 ' A' ' 76' ' ' ILE . 19.9 tt . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.619 0.247 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 113' ' ' ILE . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 92' ' ' LEU . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HE1' HD22 ' A' ' 112' ' ' LEU . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 45' ' ' VAL . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 73' ' ' ILE . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 45' ' ' VAL . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 35' ' ' ILE . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 101' ' ' ILE . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 105' ' ' VAL . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' LEU . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 ' SD ' ' A' ' 19' ' ' MET . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.919 0.39 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 101' ' ' ILE . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 45' ' ' VAL . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 41' ' ' PHE . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 52' ' ' VAL . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 49' ' ' VAL . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' THR . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' VAL . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 76' ' ' ILE . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 101' ' ' ILE . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.489 ' CB ' HG22 ' A' ' 80' ' ' VAL . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.561 HG23 ' HE1' ' A' ' 41' ' ' PHE . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.792 HD11 HG23 ' A' ' 88' ' ' THR . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' ILE . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 87' ' ' LEU . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE1' HG23 ' A' ' 22' ' ' ILE . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 84' ' ' LEU . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 49' ' ' VAL . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 69' ' ' GLY . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 80' ' ' VAL . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 73' ' ' ILE . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 45' ' ' VAL . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.676 HD23 HD11 ' A' ' 38' ' ' LEU . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.792 HG23 HD11 ' A' ' 35' ' ' ILE . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 41' ' ' PHE . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 22' ' ' ILE . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 49' ' ' VAL . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' HD22 ' A' ' 112' ' ' LEU . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 45' ' ' VAL . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.786 HG21 HD12 ' A' ' 115' ' ' ILE . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 HG13 ' A' ' 49' ' ' VAL . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HB2' HD13 ' A' ' 111' ' ' LEU . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 87' ' ' LEU . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 101' ' ' ILE . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 105' ' ' VAL . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 79' ' ' GLU . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 48' ' ' PHE . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.786 HD12 HG21 ' A' ' 52' ' ' VAL . 46.6 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 51' ' ' THR . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HD12 ' A' ' 22' ' ' ILE . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' THR . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 30' ' ' SER . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 22' ' ' ILE . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.59 ' NZ ' HD23 ' A' ' 85' ' ' LEU . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 84' ' ' LEU . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 15' ' ' LEU . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 55' ' ' LEU . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HD12 ' A' ' 73' ' ' ILE . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 73' ' ' ILE . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 80' ' ' VAL . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 76' ' ' ILE . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 45' ' ' VAL . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.59 HD23 ' NZ ' ' A' ' 42' ' ' LYS . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 92' ' ' LEU . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 88' ' ' THR . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' LEU . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' ILE . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' ILE . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt . . . . . 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.678 0.275 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.412 ' OG1' HG22 ' A' ' 34' ' ' THR . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' OG1' ' A' ' 32' ' ' THR . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 87' ' ' LEU . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 52' ' ' VAL . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 53' ' ' VAL . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 48' ' ' PHE . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 49' ' ' VAL . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 80' ' ' VAL . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 76' ' ' ILE . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 38' ' ' LEU . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 101' ' ' ILE . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 115' ' ' ILE . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.6 tt . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.721 0.296 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 52' ' ' VAL . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 49' ' ' VAL . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 52' ' ' VAL . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 45' ' ' VAL . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 48' ' ' PHE . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' VAL . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 11' ' ' ALA . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 80' ' ' VAL . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 76' ' ' ILE . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 87' ' ' LEU . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 108' ' ' ILE . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 105' ' ' VAL . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.684 0.278 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 84' ' ' LEU . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 112' ' ' LEU . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 112' ' ' LEU . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 71' ' ' THR . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.652 HG23 HG22 ' A' ' 115' ' ' ILE . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 49' ' ' VAL . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.539 HG22 HD23 ' A' ' 111' ' ' LEU . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.48 ' HA ' HD12 ' A' ' 84' ' ' LEU . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD11 HG11 ' A' ' 45' ' ' VAL . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 105' ' ' VAL . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 80' ' ' VAL . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 48' ' ' PHE . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 HG23 ' A' ' 73' ' ' ILE . 71.5 mt . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.738 0.304 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 113' ' ' ILE . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HE2' ' A' ' 41' ' ' PHE . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HB ' HG11 ' A' ' 91' ' ' VAL . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HE2' HG23 ' A' ' 22' ' ' ILE . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 112' ' ' LEU . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 76' ' ' ILE . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 87' ' ' LEU . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 101' ' ' ILE . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 98' ' ' GLY . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 26' ' ' ALA . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 103' ' ' ASN . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 ' CE ' ' A' ' 19' ' ' MET . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.834 0.35 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.79 146.69 48.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.85 144.73 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.599 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.19 148.67 26.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.678 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.3 157.29 16.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.42 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.18 151.12 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.778 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -54.49 -41.27 69.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.0 -40.63 98.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.693 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.32 -39.48 65.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.19 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.9 p -61.28 -39.22 89.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.044 -177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -39.24 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.803 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' HA ' HD12 ' A' ' 15' ' ' LEU . 69.6 t80 -59.08 -46.57 87.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.4 -48.67 80.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.783 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.97 -35.0 79.26 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.695 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 12' ' ' TYR . 35.3 mt -56.98 -38.82 73.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.696 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -58.45 -41.4 85.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.511 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.43 -37.52 87.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.063 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.11 -38.31 79.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 110.895 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.5 ttm -60.54 -39.03 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.114 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -57.48 -41.48 80.74 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.613 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.9 -42.61 99.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.25 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.5 mt -62.11 -43.97 98.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -60.21 -41.48 93.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.42 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.05 -43.28 87.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.203 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -60.63 -38.58 85.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.611 176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -58.47 -39.55 80.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.557 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.41 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.211 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.728 ' O ' HG22 ' A' ' 32' ' ' THR . . . -65.4 -42.81 92.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.384 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.12 -40.68 81.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.213 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -66.29 -40.83 90.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.649 174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.53 -35.42 79.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.105 -176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' ALA . 10.1 t -127.63 153.34 46.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.488 . . . . 0.0 111.597 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 84.6 mmt-85 -100.92 0.64 38.73 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -68.48 129.09 38.91 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.078 0.466 . . . . 0.0 111.497 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.31 -25.57 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.394 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.63 -38.61 69.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -66.78 -38.4 86.46 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.66 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.16 -37.31 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.05 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -55.21 -40.76 71.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -72.8 -37.09 67.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -59.82 -47.34 86.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.66 -0.246 . . . . 0.0 111.018 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -58.73 -41.89 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.488 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.19 -39.8 75.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.18 -40.8 86.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.025 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 49' ' ' VAL . 62.8 t -62.33 -39.17 83.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.22 -40.6 77.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.579 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -62.69 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.296 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 52' ' ' VAL . 67.0 t80 -63.94 -45.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 177.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . 67.3 t -64.19 -46.61 92.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.956 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.6 m -59.44 -42.22 91.4 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.43 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -43.9 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.553 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 48' ' ' PHE . 67.7 t -68.15 -45.21 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.93 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' VAL . 78.4 t -64.68 -46.63 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.03 -42.58 99.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.152 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.18 -42.05 89.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.092 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . . . -62.15 -39.95 94.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.599 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.41 -40.41 97.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -67.18 -35.68 80.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.405 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 56' ' ' ALA . 74.7 mt -56.51 -43.79 80.1 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.15 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -70.03 -41.05 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.116 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -73.85 -44.1 56.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.122 -175.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -94.08 -80.8 0.39 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.63 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.44 -33.83 75.95 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.41 26.24 44.13 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 121.33 -0.462 . . . . 0.0 112.192 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -125.62 93.25 3.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 117.329 0.564 . . . . 0.0 110.4 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -115.99 121.68 42.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.935 0.398 . . . . 0.0 110.325 177.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -59.42 -34.85 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.727 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -147.03 166.03 28.09 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.235 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.96 166.22 54.39 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -62.65 -37.14 85.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.596 0.236 . . . . 0.0 111.384 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.3 p -61.29 -42.44 98.65 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.456 -174.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.63 -37.69 88.42 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.71 -42.57 95.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.93 -39.19 93.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.196 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -56.16 -41.68 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.066 0.46 . . . . 0.0 110.642 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 HG23 ' A' ' 115' ' ' ILE . 61.6 mt -66.02 -40.15 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.652 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.32 -44.7 99.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.644 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -59.09 -39.03 80.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.965 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.69 -36.94 85.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.253 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 76' ' ' ILE . 69.6 t -63.28 -42.94 98.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -59.77 -41.53 91.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -62.08 -40.85 97.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.176 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -61.17 -47.39 86.39 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.282 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.29 -39.21 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.676 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.6 tp -64.35 -43.12 95.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.338 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.674 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 104' ' ' MET . 47.3 tp -60.55 -39.3 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 36.4 m -58.26 -41.55 84.51 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.419 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -60.81 -39.49 89.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.13 96.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.724 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.4 -43.87 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.66 -32.71 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.337 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.77 144.07 28.76 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -60.22 -38.91 84.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.343 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -108.26 142.09 39.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.767 0.318 . . . . 0.0 110.984 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.14 151.38 2.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -137.64 162.64 33.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.897 0.38 . . . . 0.0 110.974 177.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.25 -42.92 83.87 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.402 -172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.43 -37.73 88.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.095 0.447 . . . . 0.0 111.395 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.94 -40.86 90.4 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.738 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.1 mm -64.22 -49.6 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.56 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.67 -40.05 91.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.6 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -57.33 -40.31 77.72 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.899 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.435 ' HB2' HD13 ' A' ' 87' ' ' LEU . 97.0 mmm -64.85 -41.54 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.411 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' A' ' 108' ' ' ILE . 47.0 t -68.83 -37.37 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.62 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.224 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.9 -28.54 43.98 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.823 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 105' ' ' VAL . 95.4 mt -57.76 -41.16 78.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.58 -43.08 89.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.609 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.14 87.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.739 -176.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.37 -35.65 81.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.212 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 48' ' ' PHE . 85.0 mt -72.4 -30.62 64.81 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.84 -54.15 30.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.444 ' OD1' HD13 ' A' ' 76' ' ' ILE . 2.8 p30 -64.22 -19.83 65.62 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.484 HG23 HG21 ' A' ' 76' ' ' ILE . 48.1 pt -83.93 -30.08 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 118.24 0.473 . . . . 0.0 111.417 170.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -59.94 -39.52 85.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.76 0.314 . . . . 0.0 110.571 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.824 177.793 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.08 144.56 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.416 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.55 142.26 57.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.538 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.1 145.81 55.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.441 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -98.99 138.25 36.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.83 47.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.349 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -56.65 -40.89 76.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.89 -40.13 83.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.55 -39.88 77.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.067 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -61.36 -40.8 95.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.946 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . -73.2 -42.97 62.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.282 -177.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.17 -47.7 82.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.188 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.21 -37.36 85.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.132 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -58.67 -40.91 84.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.861 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.77 -47.76 84.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -57.94 -40.08 79.61 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.842 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.85 -34.69 78.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.331 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -72.04 -41.27 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -52.4 -42.06 63.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -169.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -61.04 -40.89 95.33 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.553 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.72 -39.71 94.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG23 ' HE1' ' A' ' 41' ' ' PHE . 32.1 mm -59.04 -47.19 90.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -60.18 -40.76 91.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.07 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.58 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -63.11 -41.1 99.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.756 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.63 -39.97 92.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.11 86.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.125 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.58 74.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.34 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.53 -31.25 63.57 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.0 p -61.61 -35.31 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.095 -0.242 . . . . 0.0 111.518 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.68 -40.39 88.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.747 0.308 . . . . 0.0 111.025 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -90.51 -17.15 27.57 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 56.85 39.62 29.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.008 0.432 . . . . 0.0 110.71 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -92.06 130.11 37.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.212 0.529 . . . . 0.0 110.982 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.513 ' CD1' HD21 ' A' ' 92' ' ' LEU . 18.4 tt -77.13 -30.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.06 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.5 -40.44 78.68 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.712 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -69.45 -35.95 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.56 -38.53 72.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.937 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.39 -42.76 87.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 110.256 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -66.12 -39.63 90.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.711 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.2 t80 -56.65 -46.34 81.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.767 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -57.97 -40.45 80.64 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.596 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.01 -41.73 97.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -65.1 -42.54 93.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.462 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' PHE . 67.9 t -66.22 -40.03 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.051 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' ' 50' ' ' THR . . . -58.02 -42.56 85.53 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.357 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.35 -41.95 97.89 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.245 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.13 -46.28 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 53' ' ' VAL . 65.3 t -62.96 -44.19 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 46' ' ' ALA . 57.4 p -61.74 -38.18 87.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.5 m -64.56 -47.5 78.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.253 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 115' ' ' ILE . 14.3 p -70.97 -35.12 58.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.492 -177.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 49' ' ' VAL . 93.4 t -60.79 -42.47 92.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -38.23 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.309 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 11' ' ' ALA . 31.7 tp -58.53 -38.94 78.81 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.487 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.91 79.8 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.364 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.33 -38.68 91.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.825 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.4 -40.5 97.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.759 0.314 . . . . 0.0 110.699 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.68 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.861 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.85 -41.96 96.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.773 0.321 . . . . 0.0 110.642 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -65.81 -47.36 75.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -43.6 96.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.204 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -102.47 8.33 40.06 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.87 -57.42 3.08 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.19 142.33 51.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -78.19 128.78 34.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.498 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -52.76 -31.23 37.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.795 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -109.32 127.54 54.39 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.14 169.93 53.58 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.037 -172.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -59.59 -38.44 81.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.514 -0.343 . . . . 0.0 111.095 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 72' ' ' GLU . 5.7 t -57.18 -43.55 82.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.023 -177.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 71' ' ' THR . 96.2 mt-10 -64.25 -39.57 94.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.721 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 HD11 ' HG3' ' A' ' 68' ' ' ARG . 46.8 mm -65.12 -45.26 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.716 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -65.96 -39.19 90.2 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.362 -176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -58.88 -42.72 90.13 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.884 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.0 mm -60.66 -42.99 93.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.091 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.36 -42.31 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.944 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -59.57 -42.72 93.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.353 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.03 -39.44 93.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.834 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 76' ' ' ILE . 85.2 t -61.23 -42.03 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.84 -41.29 91.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.52 -46.59 82.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.942 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -64.79 -43.7 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 80' ' ' VAL . 92.1 mt -64.65 -40.31 95.21 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.427 176.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.88 -42.45 94.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.357 . . . . 0.0 110.276 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.33 -40.98 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.557 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.9 tp -61.13 -40.33 93.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.463 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 m -58.32 -42.42 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.342 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.54 -39.99 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.665 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.39 92.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.707 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 87' ' ' LEU . 59.9 t -63.07 -43.93 99.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD21 ' CD1' ' A' ' 35' ' ' ILE . 94.8 mt -62.28 -41.98 98.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.915 0.388 . . . . 0.0 110.351 177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.93 -16.19 60.06 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm 61.66 54.97 2.83 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.564 0.697 . . . . 0.0 109.755 -177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.29 106.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.14 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -59.93 -36.02 76.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.292 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -63.45 104.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.0 -36.18 89.5 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.23 -36.38 79.78 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.822 -0.222 . . . . 0.0 111.421 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -59.12 -44.74 92.03 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.825 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.456 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.4 mt -66.02 -38.59 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.723 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.7 tp -60.69 -40.98 94.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.754 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -81.69 -35.37 29.91 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.532 -175.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 64.6 mtt -61.95 -40.48 95.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.562 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 101' ' ' ILE . 59.5 t -66.9 -39.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.54 99.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.035 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.77 -39.78 94.19 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.713 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 105' ' ' VAL . 63.6 mt -61.29 -45.8 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.939 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.47 95.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.93 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.35 -39.11 88.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.109 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 115' ' ' ILE . 86.6 mt -65.35 -39.11 91.95 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.958 -178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 117' ' ' LYS . 73.0 mt -67.04 -49.9 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.366 . . . . 0.0 110.304 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -63.83 -33.92 76.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.155 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.8 tt -59.1 -27.33 35.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -171.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.04 20.99 18.01 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' CE ' HG22 ' A' ' 113' ' ' ILE . 73.2 mmtt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.577 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.736 0.303 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.33 142.56 33.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.561 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.4 144.66 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.627 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -103.76 33.56 3.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.464 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.77 162.32 40.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.74 0.305 . . . . 0.0 110.454 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.62 146.65 24.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -56.18 -38.09 70.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.163 -177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.613 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.59 -40.97 76.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.641 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -63.69 -40.79 97.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.23 88.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.148 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -60.38 -42.8 96.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.597 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.95 -44.88 91.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.903 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -63.13 -37.8 88.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.042 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD11 ' CD2' ' A' ' 48' ' ' PHE . 20.5 tp -58.3 -39.13 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.928 -177.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -61.56 -42.54 98.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -70.16 -41.84 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.631 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -61.17 -38.95 88.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.014 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.1 ttt -57.84 -38.51 75.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.137 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -59.42 -38.77 81.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.001 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -60.17 -45.75 92.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.534 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.2 mt -65.61 -43.85 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -59.58 -39.35 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.915 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.99 88.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -63.39 -39.31 94.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.46 -33.63 75.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.531 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.17 79.21 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.024 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.86 26.18 10.87 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.62 -39.78 94.89 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.82 0.343 . . . . 0.0 110.254 178.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -58.54 -37.85 76.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.96 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.12 -35.96 80.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.252 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.5 m -80.59 133.88 35.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -135.33 31.4 3.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.44 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.7 t -136.06 154.81 50.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.115 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 38' ' ' LEU . 49.1 pt -83.45 -26.15 7.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.77 -37.19 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.569 0.223 . . . . 0.0 111.39 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.37 -33.8 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.68 178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 35' ' ' ILE . 82.2 mt -56.98 -29.32 63.16 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -52.7 -38.57 60.88 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.337 -0.227 . . . . 0.0 111.29 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -67.38 -39.61 85.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HE2' HD22 ' A' ' 84' ' ' LEU . 81.9 t80 -62.56 -44.95 95.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.08 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -56.84 -39.98 75.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.059 -175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -65.4 -39.48 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.806 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.44 -40.95 96.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.654 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.62 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.183 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.1 -41.32 83.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.521 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -61.14 -41.86 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.419 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 15' ' ' LEU . 85.2 t80 -63.5 -46.55 85.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.659 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -65.39 -42.49 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.025 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.5 m -63.12 -42.85 99.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.584 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.0 m -69.09 -47.4 65.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.53 -177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 115' ' ' ILE . 13.2 p -66.27 -42.18 90.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.106 -176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 73' ' ' ILE . 65.5 t -65.35 -41.87 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.724 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.42 -39.64 84.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.82 -38.28 90.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.141 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.52 -41.77 98.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.554 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.41 -40.68 70.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.667 -176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.41 -40.23 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.701 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.69 -32.26 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.798 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -55.14 -40.65 70.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 110.776 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.6 mtm-85 -98.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.622 -177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 105.67 -76.47 0.24 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -132.27 148.45 52.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.412 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -118.26 -176.99 3.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.747 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -54.49 -36.96 64.72 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.69 176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -120.37 119.94 34.56 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.37 151.44 40.05 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -54.25 -41.04 68.33 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 122.684 -0.303 . . . . 0.0 111.24 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.4 m -67.77 -41.18 83.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.642 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.52 -38.12 77.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.302 -176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 77' ' ' VAL . 71.9 mt -59.97 -43.87 93.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.188 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -62.39 -37.1 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.149 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -62.73 -48.72 77.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.135 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.1 tt -72.05 -35.34 53.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.66 -176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 73' ' ' ILE . 89.9 t -59.49 -40.14 81.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -57.57 -38.26 74.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.694 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -66.49 -40.02 89.06 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.624 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 111' ' ' LEU . 60.2 t -65.28 -39.32 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.273 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -56.34 -41.66 76.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.685 0.279 . . . . 0.0 110.697 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -59.93 -39.17 84.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.369 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.79 -41.65 98.01 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.434 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 108' ' ' ILE . 83.9 mt -68.86 -42.72 76.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.797 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.21 -41.6 85.53 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.513 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -60.23 -41.73 93.72 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 0.0 109.991 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 91' ' ' VAL . 27.6 tp -59.56 -44.29 93.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.0 m -58.52 -42.64 88.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.16 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 87' ' ' LEU . 82.1 t -59.04 -46.7 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.4 tp -72.95 -41.65 64.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.0 110.969 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.74 -39.63 73.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.207 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -87.44 104.32 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.02 0.438 . . . . 0.0 111.434 -174.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.04 -36.75 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.044 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -100.54 146.15 27.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.678 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.32 143.85 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.347 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.48 177.17 38.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.89 -27.73 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -53.3 -41.6 65.79 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 105' ' ' VAL . 69.7 mt -65.96 -48.83 80.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.54 -0.464 . . . . 0.0 109.924 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.2 -39.91 94.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.498 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -59.6 -43.06 93.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.964 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.428 ' HB2' ' HE3' ' A' ' 104' ' ' MET . 72.3 mtm -69.39 -39.15 78.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.327 -178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 101' ' ' ILE . 81.8 t -58.39 -40.58 78.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.61 97.71 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.557 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.75 -42.42 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.017 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.501 HG21 HD21 ' A' ' 84' ' ' LEU . 66.6 mt -59.74 -47.42 91.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -61.26 -40.25 93.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.37 -40.89 90.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.396 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 80' ' ' VAL . 35.2 mt -60.63 -39.89 89.93 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.929 -177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.13 -40.59 90.29 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.43 178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.12 -41.63 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -56.45 -42.02 77.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.477 HG22 HG21 ' A' ' 52' ' ' VAL . 74.5 mt -63.84 -39.86 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.249 177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -58.18 -42.39 85.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.767 0.318 . . . . 0.0 110.219 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.124 173.615 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.816 0.341 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.55 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.395 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.32 143.78 43.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.431 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.67 141.14 58.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.27 145.39 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.563 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.74 109.61 16.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.296 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -58.76 -42.69 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -65.24 -36.92 85.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.176 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.33 -38.54 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.974 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.8 p -62.05 -38.38 88.54 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.983 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.94 77.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.59 -43.65 93.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.818 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 mt -63.13 -41.02 99.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.707 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -61.97 -41.96 98.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.84 -39.37 88.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.772 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -61.77 -41.4 97.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -66.87 -41.77 86.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.293 176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -60.5 -37.14 80.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.891 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.5 ttm -55.04 -37.97 67.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.051 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -57.47 -39.52 76.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.556 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -62.52 -47.32 84.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG23 ' HE1' ' A' ' 41' ' ' PHE . 42.5 mm -63.01 -43.53 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.905 178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.22 -40.64 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.695 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.66 81.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.349 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.43 -41.16 98.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.532 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.24 93.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.715 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -39.74 95.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.639 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.9 -42.25 94.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.782 0.325 . . . . 0.0 110.423 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.05 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.28 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.3 p -75.36 -36.68 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.438 -178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.0 -45.11 78.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.149 -177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.1 p -97.39 -21.41 17.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 56.78 42.39 26.74 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.227 0.537 . . . . 0.0 110.368 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -88.64 167.79 13.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.719 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.673 HG21 ' HE3' ' A' ' 96' ' ' LYS . 42.8 pt -119.06 -21.95 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.3 -39.14 93.31 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' THR . 95.7 mt-10 -90.29 13.47 15.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -172.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 87' ' ' LEU . 13.5 tp -66.3 -37.94 86.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 118.025 0.375 . . . . 0.0 111.129 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -60.62 -38.13 83.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 37' ' ' GLU . 3.4 t -71.01 -32.47 69.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.822 -177.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.491 ' HE1' HG23 ' A' ' 22' ' ' ILE . 10.2 t80 -60.53 -44.7 95.79 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.257 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -57.09 -39.48 75.1 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.003 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.17 -39.86 93.52 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.9 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.18 -41.75 99.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.834 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 49' ' ' VAL . 56.6 t -66.34 -37.87 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.12 85.56 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.802 0.334 . . . . 0.0 110.275 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.83 -40.09 94.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.606 175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 52' ' ' VAL . 39.7 t80 -59.43 -46.51 88.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.738 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 45' ' ' VAL . 62.6 t -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.381 -177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.9 m -54.69 -43.12 72.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.801 0.334 . . . . 0.0 111.076 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 33.4 m -64.91 -39.34 93.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 48' ' ' PHE . 59.7 t -62.55 -40.77 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -45.5 90.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -62.39 -41.4 98.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.523 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.67 -37.39 84.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.354 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.55 -43.7 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.309 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.5 -38.06 86.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.164 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.07 -39.86 90.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.642 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.38 -37.61 88.13 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.352 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -63.05 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.084 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -60.31 -41.27 93.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.992 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -60.11 -41.33 92.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.625 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -61.7 -32.26 72.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.938 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -1.65 59.39 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 121.207 -0.52 . . . . 0.0 113.031 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -146.92 155.53 42.36 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 117.802 0.801 . . . . 0.0 110.093 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.49 95.71 5.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.406 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -63.55 -38.93 92.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.211 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -128.18 144.8 51.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 -178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -86.5 172.91 45.33 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.504 ' O ' HG22 ' A' ' 73' ' ' ILE . 82.9 mtt180 -60.58 -35.32 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.491 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.9 p -75.67 -35.52 60.34 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.405 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.6 -33.6 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 70' ' ' ARG . 7.1 tp -63.95 -31.42 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.74 -43.72 92.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -69.05 -36.67 77.94 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.184 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG22 HD12 ' A' ' 115' ' ' ILE . 48.9 mm -60.48 -46.9 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.2 m -71.46 -29.05 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.557 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.33 -36.78 66.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.517 0.199 . . . . 0.0 110.787 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.75 -32.65 65.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.313 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.499 HG22 HD23 ' A' ' 111' ' ' LEU . 53.3 t -57.58 -45.53 86.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.794 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 tpt85 -56.21 -44.34 79.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.704 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -63.22 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.332 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.56 HD21 HG12 ' A' ' 108' ' ' ILE . 91.7 mt -62.99 -38.96 93.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.603 176.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.2 tp -58.53 -41.86 86.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.213 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -61.75 -40.86 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.476 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 38' ' ' LEU . 18.4 tp -58.91 -39.64 82.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 92' ' ' LEU . 38.5 m -57.94 -40.95 81.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -59.0 -40.72 85.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.663 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.76 80.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG21 HD13 ' A' ' 38' ' ' LEU . 59.1 t -64.74 -40.58 89.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.981 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 88' ' ' THR . 76.5 mt -86.75 0.05 55.44 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.29 148.98 21.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 118.213 0.461 . . . . 0.0 110.481 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -56.53 -40.15 74.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.741 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -114.73 145.16 42.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.978 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.673 ' HE3' HG21 ' A' ' 35' ' ' ILE . 33.6 mmtm -93.3 130.83 38.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.138 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -129.68 128.2 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.207 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.64 -38.21 94.69 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.187 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -38.48 84.96 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.337 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.79 -39.79 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.395 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 105' ' ' VAL . 44.3 mm -64.25 -55.45 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.284 -175.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 102' ' ' LEU . 3.3 tm? -62.97 -43.01 99.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.485 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -63.64 -46.26 86.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -173.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.6 mmm -69.6 -37.47 76.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.438 -175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 101' ' ' ILE . 93.1 t -62.43 -37.23 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.586 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.55 84.63 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.401 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.28 -45.82 75.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.56 HG12 HD21 ' A' ' 84' ' ' LEU . 8.6 tp -66.77 -34.67 71.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.704 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.66 -45.38 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.336 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.88 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.499 HD23 HG22 ' A' ' 80' ' ' VAL . 28.3 tp -61.86 -38.92 90.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.97 -52.23 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.667 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.9 tt -67.0 -31.25 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.903 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -58.07 -35.09 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 76' ' ' ILE . 46.3 mm -56.57 -42.08 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.562 0.22 . . . . 0.0 110.813 -176.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -116.74 36.31 4.22 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.913 0.387 . . . . 0.0 111.519 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.286 177.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.806 0.336 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.61 135.88 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.51 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.13 94.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.01 144.36 37.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.67 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.88 139.73 39.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -91.71 118.08 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -64.28 -42.01 96.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.399 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -63.68 -39.66 94.88 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.873 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.13 -41.69 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.0 p -67.78 -28.72 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.094 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.63 90.36 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.107 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -61.31 -40.36 93.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.067 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.71 -38.29 88.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.298 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.45 -33.51 69.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.79 -43.89 85.89 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.78 -42.54 97.74 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.662 -177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.75 -40.3 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.422 . . . . 0.0 111.019 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.635 ' O ' HD12 ' A' ' 22' ' ' ILE . 56.4 tp60 -59.49 -37.3 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.404 ' HE1' HD11 ' A' ' 113' ' ' ILE . 1.1 tmm? -54.89 -40.64 69.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.534 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -61.42 -36.16 79.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.25 -45.58 90.81 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.832 -176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.1 mp -63.82 -40.81 90.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -57.56 -41.48 81.09 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.472 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.36 -46.35 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.42 -39.87 92.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.92 91.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.969 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.62 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.07 93.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.701 0.286 . . . . 0.0 110.932 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.3 tp -58.65 -42.49 88.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.416 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.3 m -62.01 -40.74 96.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.671 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.62 -42.96 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.198 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.0 p -77.86 -38.1 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.43 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 56.06 44.9 24.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.216 0.531 . . . . 0.0 110.731 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.1 t -128.01 144.2 51.1 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 121.108 0.48 . . . . 0.0 111.17 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.46 -29.0 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.202 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.02 -40.35 76.5 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.76 -176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.15 -38.39 78.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.8 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.548 HD21 ' OG1' ' A' ' 88' ' ' THR . 30.9 tp -63.11 -39.66 95.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.846 -178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -59.09 -46.53 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.808 0.337 . . . . 0.0 110.476 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.7 m -67.77 -37.55 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.958 176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HE2' HD21 ' A' ' 84' ' ' LEU . 45.1 t80 -55.93 -47.2 77.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.562 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.1 -37.62 72.19 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.264 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.04 -43.04 95.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.777 0.322 . . . . 0.0 110.718 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.85 -40.18 79.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' PHE . 58.8 t -62.76 -40.71 89.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.239 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.07 83.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.629 -177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.96 -40.13 96.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 52' ' ' VAL . 75.7 t80 -61.65 -46.1 91.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.778 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' O ' HG23 ' A' ' 53' ' ' VAL . 53.7 t -64.52 -46.54 92.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.173 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.3 m -61.17 -42.46 98.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -68.73 -46.13 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.627 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 48' ' ' PHE . 14.0 p -75.64 -42.84 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -174.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 49' ' ' VAL . 60.3 t -64.51 -42.6 95.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.124 -176.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -58.33 -41.1 83.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.532 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.83 -39.68 91.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.166 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.68 89.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -73.97 -42.48 60.41 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -101.68 -78.25 0.53 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -170.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.02 -45.19 91.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.643 -170.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.71 -35.6 79.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.428 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -63.25 -44.54 94.89 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -55.92 -53.62 54.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.064 -173.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.87 -34.71 69.42 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.566 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.43 14.18 57.47 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 121.34 -0.457 . . . . 0.0 113.021 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -60.53 -33.2 72.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.729 0.765 . . . . 0.0 111.571 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -55.12 127.2 28.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.163 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -97.05 11.09 37.38 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -113.52 136.2 53.06 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.75 144.32 48.89 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -56.29 -38.62 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.4 m -59.48 -40.7 87.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.461 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.72 -36.86 84.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -56.65 -49.32 78.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.794 0.331 . . . . 0.0 110.18 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -67.99 -36.79 80.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.48 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -57.51 -43.41 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.712 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 80' ' ' VAL . 80.3 mt -60.56 -43.58 94.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.223 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 52.0 t -56.55 -43.17 77.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.793 0.33 . . . . 0.0 110.22 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -60.82 -41.64 96.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.281 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.66 -38.39 86.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -58.32 -52.11 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -62.91 -39.26 94.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.907 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.6 tpt85 -62.05 -52.03 65.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.498 -176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.22 -43.38 67.43 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.652 HD21 ' HE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -58.48 -41.96 86.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.93 -41.01 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.36 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.65 -40.6 95.5 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.6 tp -58.42 -39.62 80.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.548 ' OG1' HD21 ' A' ' 38' ' ' LEU . 32.6 m -59.62 -42.86 93.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.248 177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -60.03 -38.79 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.72 95.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 49.4 t -64.78 -42.15 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.095 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 76.1 mt -92.0 12.19 22.67 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.66 144.4 43.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 118.083 0.401 . . . . 0.0 110.77 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.56 -37.78 76.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.027 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -101.6 161.0 13.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.444 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -72.78 137.18 45.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.389 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -116.66 150.42 38.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.38 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -133.5 -94.67 0.54 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.72 -31.8 71.08 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -55.16 -42.3 72.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.519 0.2 . . . . 0.0 111.03 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 105' ' ' VAL . 73.1 mt -62.95 -45.09 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.58 -39.64 84.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.687 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.05 -41.36 92.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.561 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 97.0 mmm -64.7 -41.6 95.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.373 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 101' ' ' ILE . 58.2 t -60.7 -42.09 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.53 97.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.856 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -69.07 -47.58 64.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.892 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -41.13 80.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -57.75 -41.76 82.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.347 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.8 84.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.221 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.34 -37.9 79.0 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.23 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.14 -35.37 71.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.404 HD11 ' HE1' ' A' ' 19' ' ' MET . 47.1 mm -70.57 -49.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.15 -39.01 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.777 -176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.469 ' HB ' HD13 ' A' ' 76' ' ' ILE . 19.9 tt -70.0 -31.25 47.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.854 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -55.15 -41.51 71.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.539 0.209 . . . . 0.0 111.113 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.9 tptm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.54 32.44 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.667 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.37 141.42 35.22 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.741 0.305 . . . . 0.0 110.463 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.44 97.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.68 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.34 146.55 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.578 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.08 141.75 28.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -55.91 -38.93 70.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.221 -176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -58.22 -40.03 80.6 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.694 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -74.87 -40.04 61.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.754 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -61.7 -39.91 93.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.09 89.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.038 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -58.73 -41.32 86.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.44 -39.57 91.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.634 -175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -74.48 -43.27 56.81 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.642 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.73 -41.05 98.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.696 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -64.51 -36.87 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.063 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.0 -40.33 91.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.705 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.57 -38.18 83.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 113' ' ' ILE . 24.3 ttt -56.59 -38.83 72.56 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.914 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -59.26 -40.35 85.71 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.441 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -61.44 -42.62 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.27 -46.49 96.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.811 177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -61.53 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.729 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.2 88.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.23 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.24 -40.28 95.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.766 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.29 98.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.53 -38.28 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.036 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.85 -47.82 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.417 -177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.718 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.7 p -55.62 -38.33 69.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.649 0.261 . . . . 0.0 111.016 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.53 -39.77 73.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.79 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -70.87 -36.93 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 56.76 41.56 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.229 0.538 . . . . 0.0 110.574 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.4 t -126.63 146.96 49.97 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.207 0.527 . . . . 0.0 111.186 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.533 HD12 HD21 ' A' ' 92' ' ' LEU . 20.4 tt -73.16 -29.69 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.16 -42.99 82.11 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.797 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -72.56 -36.99 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.04 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.02 -36.64 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.184 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -55.01 -41.89 71.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.704 0.288 . . . . 0.0 110.915 -178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.2 p -71.36 -36.14 71.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.058 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 t80 -59.86 -50.33 74.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.044 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -58.38 -39.91 80.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.838 -177.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.2 -41.41 97.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.336 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -63.98 -41.6 97.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.466 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 49' ' ' VAL . 80.2 t -64.15 -41.07 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.824 177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.85 72.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -61.56 -40.52 95.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.556 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HE1' HD22 ' A' ' 112' ' ' LEU . 48.1 t80 -58.7 -42.07 87.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.394 178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 45' ' ' VAL . 69.1 t -71.41 -39.47 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.251 177.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.1 m -54.67 -44.07 73.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.362 -175.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 t -62.97 -37.99 89.3 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.878 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.62 -43.81 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.29 -47.38 92.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.359 -0.382 . . . . 0.0 109.971 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.09 -39.37 89.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.789 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.6 tp -61.73 -37.21 83.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.975 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.2 85.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 0.0 110.538 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -73.22 -39.49 65.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.291 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.85 -45.18 83.15 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.51 -175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.87 -39.38 94.25 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.787 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.15 -35.97 80.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.294 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -65.46 -47.33 76.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.653 0.264 . . . . 0.0 111.711 -178.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -60.5 -46.65 89.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.631 -174.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -97.31 -13.33 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.23 7.16 88.07 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.812 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -158.9 158.51 33.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.784 0.792 . . . . 0.0 110.597 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -132.48 131.05 41.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.334 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -54.06 -32.61 55.11 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -105.84 136.91 44.62 Favored 'General case' 0 N--CA 1.462 0.14 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 171.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.661 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -77.26 153.74 41.71 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -55.04 -37.29 66.5 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.249 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 62.7 p -61.11 -36.31 79.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.329 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.98 -42.88 94.16 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.401 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 77' ' ' VAL . 4.2 mp -64.55 -39.94 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.256 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -64.14 -42.94 96.6 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.203 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -66.48 -48.96 68.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.669 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.96 -38.93 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.944 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 73' ' ' ILE . 84.8 t -58.14 -40.97 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.34 -39.73 94.47 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.781 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.85 -45.76 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.94 -177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.25 -37.06 64.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.649 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -59.72 -40.76 89.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.601 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -58.93 -42.78 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.164 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.46 -40.48 97.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.426 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.467 HD11 HG11 ' A' ' 45' ' ' VAL . 83.9 mt -60.99 -41.54 96.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.339 177.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -67.38 -40.44 85.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.504 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -59.95 -41.39 91.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.398 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 28.8 tp -61.92 -40.66 96.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.352 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 m -57.76 -42.87 84.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.813 0.339 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.98 -40.79 94.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.469 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.06 92.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 99.3 t -64.07 -46.82 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.533 HD21 HD12 ' A' ' 35' ' ' ILE . 92.2 mt -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.48 -20.55 62.06 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 61.94 57.42 2.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.572 0.701 . . . . 0.0 109.37 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -53.62 120.67 6.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.348 -174.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -64.06 -36.99 85.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.16 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -72.06 107.44 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 110.978 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.22 -36.65 93.1 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -56.39 -37.94 70.8 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 122.892 -0.181 . . . . 0.0 111.131 -177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.19 -39.66 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.792 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.5 mm -58.73 -51.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.89 -45.63 91.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.144 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.49 -41.37 89.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.187 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 43.6 ttm -65.63 -44.99 84.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.099 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 101' ' ' ILE . 97.5 t -60.38 -40.57 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.79 86.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.902 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.23 -38.67 91.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.956 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 105' ' ' VAL . 70.0 mt -59.04 -49.08 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -63.66 -38.72 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.18 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.79 82.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.475 -175.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.99 -38.42 72.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 112' ' ' LEU . 2.4 tt -73.42 -41.4 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.332 -175.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.616 HD12 ' SD ' ' A' ' 19' ' ' MET . 20.5 tt -62.22 -30.42 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -84.62 0.16 51.15 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.5 mt -64.49 -43.92 96.92 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 118.202 0.455 . . . . 0.0 110.19 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -91.64 -18.9 23.31 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.628 178.528 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.732 0.301 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.94 150.87 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.597 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.13 143.0 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 35.96 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.194 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.83 83.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.23 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.51 141.74 56.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.598 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -57.74 -40.32 79.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -60.75 -40.57 92.92 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.693 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -78.64 -41.69 30.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.625 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t -62.34 -46.45 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.31 -43.66 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.32 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.27 -41.94 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -58.18 -47.18 84.23 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.58 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.57 -40.8 98.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.481 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -60.19 -39.51 86.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.799 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.15 -39.54 86.72 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.414 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -59.82 -39.54 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.396 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 97.1 mmm -62.47 -41.29 98.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.344 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -59.33 -38.22 79.77 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.656 178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.85 -43.17 90.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.49 -44.59 96.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.714 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -61.82 -41.42 97.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.32 85.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.248 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -61.32 -39.47 90.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.17 94.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.482 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.627 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.18 70.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 101' ' ' ILE . 3.1 pp -73.22 -27.78 61.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.987 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.9 p -55.81 -30.94 62.19 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -77.01 -49.69 14.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.731 0.3 . . . . 0.0 111.394 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.0 p -74.96 -39.89 61.07 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.272 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 54.72 58.01 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.504 0.669 . . . . 0.0 110.82 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -137.77 152.42 49.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.44 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 35' ' ' ILE . 5.0 mp -70.77 -28.02 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.291 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.23 -43.08 78.26 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.747 0.308 . . . . 0.0 110.62 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.48 -33.93 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.208 174.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.42 -33.89 60.32 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.577 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -53.49 -38.93 64.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.2 m -64.51 -40.38 95.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.734 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 45' ' ' VAL . 34.3 t80 -59.21 -47.72 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.055 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -58.87 -41.3 86.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.917 -176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.87 -39.41 94.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.771 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -62.45 -43.49 98.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 41' ' ' PHE . 57.6 t -68.61 -42.92 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.971 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.13 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.5 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -63.78 -39.06 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.638 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 52' ' ' VAL . 59.3 t80 -60.6 -46.19 91.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.93 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 53' ' ' VAL . 50.8 t -60.23 -45.03 96.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.2 m -61.35 -43.01 99.59 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.4 m -73.66 -47.02 42.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.776 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 48' ' ' PHE . 13.4 p -66.88 -42.79 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.559 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 49' ' ' VAL . 67.1 t -61.94 -42.05 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.7 tp -62.36 -40.41 96.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.277 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.13 99.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.182 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.0 -44.27 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.958 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.08 -39.87 93.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HD2' ' A' ' 63' ' ' PHE . 14.0 tp -58.31 -40.15 81.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.518 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.81 -43.65 75.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -63.77 -42.16 97.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.566 -176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -94.46 -77.55 0.46 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.358 -172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HD2' HD12 ' A' ' 59' ' ' LEU . 25.2 m-85 -70.52 -39.33 74.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.75 0.309 . . . . 0.0 111.658 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.91 39.49 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -109.6 15.43 22.88 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -91.29 127.91 36.91 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 118.04 0.382 . . . . 0.0 110.637 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -94.49 21.0 7.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.08 140.16 53.15 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.794 0.331 . . . . 0.0 110.65 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.68 34.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.439 -1.064 . . . . 0.0 110.439 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -55.76 -37.9 69.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.801 0.3 . . . . 0.0 111.062 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.6 t -62.95 -40.34 97.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.455 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 71' ' ' THR . 96.1 mt-10 -65.11 -38.21 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.999 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.3 mm -58.14 -46.33 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.38 -40.15 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.639 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -58.79 -43.2 90.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.708 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 80' ' ' VAL . 50.3 mm -62.96 -32.0 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.183 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.1 t -58.65 -44.75 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -62.67 -39.16 93.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.613 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.52 -41.58 97.53 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.409 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 76' ' ' ILE . 70.6 t -66.82 -42.62 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.38 -47.97 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.682 -174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -65.58 -41.09 93.28 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.662 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.53 -39.99 93.04 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.359 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.78 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.52 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.7 -42.0 92.04 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 174.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.88 -39.52 89.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.463 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 20.2 tp -58.17 -42.42 85.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.21 177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.8 m -62.59 -43.46 98.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.899 0.381 . . . . 0.0 110.02 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.96 -37.29 81.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.019 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.06 97.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.826 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.58 -43.05 94.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.41 -37.05 82.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.725 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.4 -18.16 63.41 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 69.18 48.63 0.66 Allowed 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.455 0.645 . . . . 0.0 110.638 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.19 110.44 3.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.811 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -64.87 -37.42 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.737 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -80.12 124.79 29.07 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.925 -174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.13 -35.86 92.65 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.771 -0.531 . . . . 0.0 111.771 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.79 -31.74 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -55.54 -41.17 72.82 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.9 mp -66.14 -51.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 82.0 mt -56.34 -41.09 75.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.983 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.98 -41.62 98.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.795 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 42.4 ttm -70.87 -39.42 72.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.96 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 101' ' ' ILE . 96.4 t -57.82 -38.23 64.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.31 -39.48 72.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.651 0.262 . . . . 0.0 110.708 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.7 -38.96 92.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.873 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.9 mm -60.51 -49.33 84.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.07 -36.53 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.63 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.779 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.489 ' CB ' HG22 ' A' ' 80' ' ' VAL . 83.3 mt -70.08 -38.41 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.3 -45.02 86.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.348 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.1 tt -64.19 -29.87 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.764 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.8 -35.52 68.83 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.078 177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mm -58.47 -50.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 120.985 0.421 . . . . 0.0 109.988 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -61.92 -40.45 95.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.789 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.536 -178.286 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.67 147.58 26.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.454 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.26 153.12 47.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.74 140.37 37.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB1' ' HB2' ' A' ' 9' ' ' GLU . . . -162.24 166.87 24.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.381 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 157.04 5.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.21 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -53.9 -38.13 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.707 0.289 . . . . 0.0 111.199 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.15 -42.69 88.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.487 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 96.2 mt-10 -71.34 -40.0 70.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.523 -177.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.8 p -60.76 -41.6 95.77 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.454 -176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.94 -40.09 79.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.901 0.382 . . . . 0.0 110.634 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -60.43 -39.85 88.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.817 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.79 -40.03 91.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -58.9 -39.52 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.81 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.99 -40.08 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.57 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.46 -44.98 92.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.669 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.76 -42.17 91.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.946 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -68.95 -40.06 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.0 ttt -58.45 -39.33 79.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.916 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.47 -42.69 88.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -59.92 -42.64 94.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.353 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.561 HG23 ' HE1' ' A' ' 41' ' ' PHE . 87.1 mt -62.29 -42.77 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -58.78 -40.99 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.591 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.06 -46.43 61.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.51 -38.16 86.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.67 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.632 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.95 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.673 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.69 -37.96 87.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -58.48 -41.29 84.93 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.308 -177.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.0 p -64.28 -39.38 93.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -72.71 -43.87 62.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -75.31 -36.29 61.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.614 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 55.68 40.59 30.91 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.204 0.526 . . . . 0.0 110.57 -176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -95.45 166.95 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.056 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.792 HD11 HG23 ' A' ' 88' ' ' THR . 8.6 tp -127.49 -40.84 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.078 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 35' ' ' ILE . 96.3 mt-10 -63.33 -41.63 98.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.877 0.37 . . . . 0.0 110.554 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -66.23 -31.15 71.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.585 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 87' ' ' LEU . 13.2 tp -51.82 -33.25 34.96 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -54.81 -40.0 69.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.688 0.28 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 35.1 m -64.31 -40.96 96.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' HE1' HG23 ' A' ' 22' ' ' ILE . 38.2 t80 -59.0 -42.46 90.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -57.27 -39.9 76.59 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.885 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -40.35 90.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.5 -43.82 92.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.023 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 84' ' ' LEU . 44.8 t -68.85 -40.95 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.269 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.97 82.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.35 -41.8 98.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.352 177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -58.46 -44.12 89.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.858 0.361 . . . . 0.0 110.091 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.639 ' O ' HG23 ' A' ' 53' ' ' VAL . 59.0 t -63.35 -39.66 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.028 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -64.8 -42.84 94.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.743 0.306 . . . . 0.0 110.857 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.0 m -63.49 -42.86 98.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.263 -177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.79 -33.27 60.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.445 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 49' ' ' VAL . 97.5 t -65.47 -42.97 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -59.1 -39.47 82.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.706 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 59' ' ' LEU . 92.2 mt -62.23 -43.48 98.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -55.38 10.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.463 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.04 -41.81 58.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -105.92 -76.28 0.61 Allowed 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -170.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD12 HD23 ' A' ' 55' ' ' LEU . 86.9 mt -55.63 -55.21 34.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -168.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -69.16 -34.74 75.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.564 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -60.89 -47.21 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.634 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -59.83 -46.13 90.23 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.339 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -64.28 -29.44 70.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.831 176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.16 31.68 7.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -109.16 27.1 9.86 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.813 0.307 . . . . 0.0 111.64 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -83.69 92.64 7.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 0.0 110.81 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -65.53 -35.89 82.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.651 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -116.82 142.2 47.23 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -72.54 158.67 53.32 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -53.83 -42.4 68.41 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.727 0.299 . . . . 0.0 111.113 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.4 m -58.11 -39.25 78.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.62 -40.13 94.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.691 -177.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 69' ' ' GLY . 4.0 mp -60.44 -41.56 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -59.12 -37.74 77.93 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -61.11 -42.7 99.01 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.225 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 80' ' ' VAL . 49.1 mm -64.4 -44.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.536 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 73' ' ' ILE . 71.1 t -59.01 -47.09 91.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -67.68 -46.61 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.594 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.21 -39.8 89.9 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.9 t -60.48 -44.01 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -60.23 -38.67 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.574 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -50.61 71.41 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -61.16 -43.83 98.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 45' ' ' VAL . 74.4 mt -63.42 -40.95 98.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.58 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 24.6 tp -64.5 -40.96 96.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.691 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -61.14 -38.8 87.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.676 HD23 HD11 ' A' ' 38' ' ' LEU . 24.9 tp -56.89 -41.43 78.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.526 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.792 HG23 HD11 ' A' ' 35' ' ' ILE . 27.9 m -63.13 -43.24 98.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.982 0.42 . . . . 0.0 110.222 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -62.3 -37.73 86.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.263 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.44 -46.0 90.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.723 0.297 . . . . 0.0 111.102 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.6 -45.68 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 109.999 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.05 -28.59 68.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.097 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.02 143.22 10.76 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 111.742 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.41 -38.31 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.037 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -100.72 46.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.29 0.567 . . . . 0.0 110.754 -177.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -54.49 132.49 44.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.432 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -134.99 132.12 37.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.303 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.32 -39.47 59.04 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.4 -33.79 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -56.51 -40.63 75.34 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.368 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.5 mp -63.73 -45.01 98.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.094 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.12 -41.74 84.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.859 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -65.34 -44.35 88.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.106 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -72.36 -45.49 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.307 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 89.1 t -58.35 -39.47 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.196 -175.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.21 88.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.522 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.93 -37.35 84.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.414 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 75.4 mt -58.54 -52.86 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -60.18 -37.66 80.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.242 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.84 79.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.117 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.41 -40.47 73.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 0.0 110.856 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -70.7 -40.83 72.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 20.0 tt -69.63 -32.4 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -57.74 -47.73 81.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.814 0.34 . . . . 0.0 110.52 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 8.9 tp -72.19 -29.78 33.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.973 176.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -55.75 -40.64 72.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.62 0.247 . . . . 0.0 110.969 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.8 tptt . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.549 -178.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.99 145.39 46.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.41 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.99 134.83 33.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.832 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' HB3' ' HG2' ' A' ' 7' ' ' ARG . . . -149.1 148.45 29.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.29 85.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.35 -50.63 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' HB3' ' A' ' 4' ' ' ALA . 9.1 ptm180 -65.1 -37.22 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.188 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -59.88 -41.18 90.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.804 0.335 . . . . 0.0 110.664 178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.56 -37.57 88.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.293 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -60.41 -35.58 76.12 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.143 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.96 97.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.505 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.34 -43.14 99.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.486 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.63 -37.62 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.069 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -57.29 -40.83 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.582 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.3 -34.53 78.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.88 -42.41 97.88 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.645 0.259 . . . . 0.0 111.009 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.27 -41.91 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.166 0.508 . . . . 0.0 110.65 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -61.37 -38.42 86.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.871 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.8 mmm -56.97 -39.54 74.82 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.933 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -96.55 -39.77 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.103 -177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.2 -45.62 87.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.184 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 41' ' ' PHE . 78.2 mt -68.31 -35.04 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.27 -44.63 87.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.71 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.848 0.356 . . . . 0.0 110.985 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.95 -39.21 91.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.105 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.23 96.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.142 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.01 73.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.513 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.57 91.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.689 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -71.24 -34.51 70.83 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.692 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.9 p -59.93 -35.04 74.08 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.522 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.47 -42.77 91.89 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.871 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.7 p -84.68 -27.8 26.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.287 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 57.71 69.79 0.71 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.451 0.643 . . . . 0.0 110.691 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -134.0 139.14 45.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.492 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.4 tp -71.59 -30.58 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.165 -178.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.19 -46.21 79.51 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.19 -175.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.36 -34.24 76.9 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.43 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.4 -36.73 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.596 0.236 . . . . 0.0 111.079 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -55.98 -40.95 74.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.152 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.6 p -70.57 -32.67 70.16 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.485 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' HG23 ' A' ' 22' ' ' ILE . 1.2 t80 -57.75 -44.1 85.88 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.713 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.36 -39.97 77.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.04 -40.76 98.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.581 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.46 -41.48 98.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.464 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 49' ' ' VAL . 60.7 t -66.14 -43.21 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.57 81.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -59.17 -40.81 86.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.219 174.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' HD22 ' A' ' 112' ' ' LEU . 1.7 t80 -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 45' ' ' VAL . 68.2 t -71.2 -41.44 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.21 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 49.6 m -55.17 -41.65 72.15 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.0 -176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.4 m -64.55 -40.98 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.708 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.786 HG21 HD12 ' A' ' 115' ' ' ILE . 61.6 t -65.49 -47.43 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.204 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.7 m -67.8 -33.76 63.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.476 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -57.62 -43.26 84.63 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 120.945 0.403 . . . . 0.0 110.161 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.68 -36.98 85.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.55 92.27 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.563 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -69.53 -41.11 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.818 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -59.56 -37.42 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.24 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD11 ' CE2' ' A' ' 63' ' ' PHE . 23.3 tp -59.87 -38.04 81.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.204 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.61 -39.3 93.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.393 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -62.37 -48.71 78.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.287 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -62.19 -45.71 92.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.016 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.497 ' CE2' HD11 ' A' ' 59' ' ' LEU . 7.2 m-85 -63.07 -36.83 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.388 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.78 25.39 58.36 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.164 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -132.89 159.38 40.05 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 117.176 0.488 . . . . 0.0 109.975 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.32 147.65 23.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.032 0.444 . . . . 0.0 111.378 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 68.09 80.76 0.2 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.729 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.5 mmt-85 -136.46 118.62 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.495 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.23 63.62 5.0 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -125.84 -57.48 1.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.502 0.192 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.2 p -57.47 -41.65 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.943 0.401 . . . . 0.0 110.682 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -67.17 -37.11 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.69 -47.53 88.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.91 -38.71 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.586 -171.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -62.16 -44.0 97.58 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.119 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 mm -64.23 -44.04 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.165 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.424 HG11 HG13 ' A' ' 49' ' ' VAL . 34.2 m -68.09 -31.39 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.637 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -59.37 -39.18 82.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 121.006 -0.277 . . . . 0.0 110.956 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HB2' HD13 ' A' ' 111' ' ' LEU . 77.5 mm-40 -66.16 -38.39 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.5 t -64.93 -43.12 96.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.904 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -61.06 -48.75 80.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.871 -173.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -62.29 -40.01 94.85 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.711 -176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -60.24 -39.53 87.05 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.521 177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.65 -40.73 95.95 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.382 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.62 -43.71 96.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.068 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.7 -41.95 99.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.196 175.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.512 HD11 HG23 ' A' ' 101' ' ' ILE . 27.8 tp -60.65 -40.97 93.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.293 176.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.9 m -59.86 -44.45 94.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.392 . . . . 0.0 110.021 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -61.81 -38.07 86.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.955 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.47 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.616 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.87 -43.54 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.35 -31.45 72.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.862 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.66 144.58 10.58 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.948 0.404 . . . . 0.0 111.539 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -58.64 -43.1 89.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.523 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.5 134.47 43.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 153.44 50.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -100.79 139.19 36.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.72 -38.78 84.59 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.41 -38.18 84.22 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.295 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -59.68 -41.05 89.81 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.922 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.512 HG23 HD11 ' A' ' 87' ' ' LEU . 75.3 mt -62.97 -46.24 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.133 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.34 -38.64 90.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -58.92 -41.55 87.59 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.583 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.82 -39.82 94.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 101' ' ' ILE . 60.0 t -63.62 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.286 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.11 83.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.33 -37.91 87.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.971 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 105' ' ' VAL . 82.4 mt -58.34 -45.04 89.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -64.5 -38.56 91.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.184 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.71 97.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.996 -177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 79' ' ' GLU . 79.8 mt -67.13 -40.5 86.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 111.197 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' A' ' 48' ' ' PHE . 79.4 mt -73.56 -43.32 60.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.5 tt -58.02 -29.58 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.083 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -58.91 -43.4 91.08 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 120.656 0.265 . . . . 0.0 110.569 176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.786 HD12 HG21 ' A' ' 52' ' ' VAL . 46.6 pt -85.84 -7.86 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -57.75 -41.63 82.31 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.094 0.407 . . . . 0.0 110.522 176.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.4 tttm . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.637 -179.634 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.01 160.79 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.66 161.88 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.524 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.05 149.14 12.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.96 0.41 . . . . 0.0 110.95 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.99 156.9 4.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.95 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.27 149.05 10.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.013 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -55.02 -41.54 71.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -67.02 -38.88 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.09 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.14 -41.92 89.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 86.5 p -65.07 -36.28 83.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.366 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.48 83.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -59.86 -42.62 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.62 -40.41 94.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.58 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -60.36 -39.88 88.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.77 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 51' ' ' THR . 89.5 mt -60.6 -39.05 86.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.893 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.06 -41.19 91.84 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.465 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.3 -39.05 75.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.617 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HD12 ' A' ' 22' ' ' ILE . 92.3 mm-40 -62.7 -44.91 95.01 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.112 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 33.0 ttp -54.66 -43.35 72.33 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.43 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -59.25 -37.6 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.848 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -60.16 -48.05 83.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.591 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 18' ' ' GLN . 4.2 mp -65.63 -40.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -59.31 -41.28 88.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.96 -47.94 64.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -61.45 -37.97 85.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.958 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -36.63 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.07 85.11 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.573 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.97 97.48 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD12 HD21 ' A' ' 87' ' ' LEU . 4.5 mm? -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.696 176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' THR . 21.2 m -56.83 -32.31 65.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.511 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -55.67 -26.67 45.98 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 30' ' ' SER . 3.0 p 73.33 30.65 1.49 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.217 0.607 . . . . 0.0 111.743 175.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -138.15 -66.13 0.5 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 111.501 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -52.94 144.66 14.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.671 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 35' ' ' ILE . 0.2 OUTLIER -132.05 -25.27 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.122 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.19 -36.0 76.65 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.616 0.246 . . . . 0.0 111.306 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -59.95 -30.49 69.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.731 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.75 -40.41 63.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -58.89 -43.1 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 p -78.68 -29.74 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.86 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 22' ' ' ILE . 31.1 t80 -55.21 -50.87 68.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.431 0.157 . . . . 0.0 111.252 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.59 ' NZ ' HD23 ' A' ' 85' ' ' LEU . 76.2 mttt -58.81 -37.5 76.52 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.32 -176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.98 -41.55 96.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.535 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -65.32 -40.82 94.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.801 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 84' ' ' LEU . 47.8 t -63.66 -39.21 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.452 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.91 83.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.938 0.399 . . . . 0.0 110.468 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -64.66 -39.6 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.764 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' VAL . 75.4 t80 -62.97 -49.33 75.13 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -69.79 -38.92 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.154 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.9 m -62.43 -41.27 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.593 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' HD21 ' A' ' 15' ' ' LEU . 34.4 m -60.15 -39.97 88.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.81 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.4 t -62.34 -41.95 93.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 109.925 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.78 -44.29 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -60.72 -40.66 93.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.639 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' C ' HD23 ' A' ' 55' ' ' LEU . 9.4 tt -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.52 -34.76 77.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.678 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.06 -41.03 74.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -177.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -68.3 -39.46 82.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 55' ' ' LEU . 77.2 mt -67.26 -35.32 79.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.653 -177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.85 -42.69 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.14 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -79.23 -43.8 23.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -59.07 -38.33 79.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.07 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -109.31 162.66 14.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.918 0.389 . . . . 0.0 110.778 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.55 -176.47 49.07 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.956 -175.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -59.34 -27.75 66.2 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -68.14 1.18 2.98 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -109.46 157.65 18.75 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.227 0.467 . . . . 0.0 109.797 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -56.71 137.46 54.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.952 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -93.21 168.73 30.02 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -54.53 -37.72 65.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.662 0.268 . . . . 0.0 111.329 -177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 79.4 p -64.27 -35.97 82.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.589 -175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.58 -38.52 91.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.395 -176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' ' 73' ' ' ILE . 4.9 mp -64.6 -39.24 84.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.078 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.99 -42.29 84.81 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.935 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -57.31 -39.75 76.45 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.605 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 80' ' ' VAL . 45.6 mm -60.31 -43.07 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.68 -41.65 85.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.09 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -56.54 -39.29 73.14 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.656 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.4 -47.55 55.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.606 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 76' ' ' ILE . 58.9 t -58.92 -42.47 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -176.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -56.68 -42.17 78.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.812 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -65.55 -43.0 91.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -61.53 -41.65 97.65 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 45' ' ' VAL . 39.8 mt -59.71 -43.03 94.31 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.01 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.59 HD23 ' NZ ' ' A' ' 42' ' ' LYS . 29.1 mt -66.64 -38.26 86.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 176.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -58.07 -40.72 81.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.53 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 91' ' ' VAL . 16.4 tp -61.86 -41.1 97.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.141 175.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.402 HG22 HD12 ' A' ' 92' ' ' LEU . 20.6 m -60.89 -42.23 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.417 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -61.19 -41.6 97.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.95 -42.02 90.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 87' ' ' LEU . 64.9 t -66.48 -42.58 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.858 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 88' ' ' THR . 78.1 mt -85.64 -7.18 58.98 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.7 153.91 9.81 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.183 0.447 . . . . 0.0 110.469 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.84 -41.95 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.913 0.387 . . . . 0.0 110.43 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -120.76 139.46 53.07 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.5 140.88 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 -175.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -108.51 134.92 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.998 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.16 93.67 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.6 -37.07 84.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 111.433 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -57.01 -41.48 78.57 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.891 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 105' ' ' VAL . 84.3 mt -60.53 -39.65 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.391 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' LEU . 6.1 mp -66.24 -44.26 84.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.112 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -65.84 -44.81 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.514 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 96.7 mmm -66.92 -44.37 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.109 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 101' ' ' ILE . 95.8 t -59.86 -40.79 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.051 -177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.27 87.49 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.605 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.05 -41.62 81.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.67 -45.22 99.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 113' ' ' ILE . 62.6 mtpt -61.21 -47.06 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.728 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.66 -38.68 64.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.316 -174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.49 -37.16 86.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.893 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.85 -41.93 99.54 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.796 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.2 mp -65.96 -36.72 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -56.02 -37.44 69.18 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.071 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 42.0 pt -94.18 -32.37 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.603 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -66.7 -41.55 87.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.0 mptm? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.999 -1.0 . . . . 0.0 109.823 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.871 0.367 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.09 146.31 28.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.02 44.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 149.13 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 167.61 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.06 155.07 4.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -54.67 -39.54 68.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.094 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -62.65 -44.32 96.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.853 0.359 . . . . 0.0 110.572 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.22 -38.16 72.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.205 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m -56.99 -38.95 73.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.105 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.17 89.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.893 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -67.73 -42.0 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.321 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.26 -42.97 99.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.181 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -61.86 -42.2 98.76 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.408 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.98 -40.24 94.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.6 -45.62 89.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.594 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.59 -40.5 80.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.672 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -61.0 -37.99 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.9 ttm -56.58 -39.36 73.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.874 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -59.81 -39.53 85.33 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.497 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -58.82 -41.77 87.66 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mm -61.76 -45.76 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -61.34 -40.5 94.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.7 179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.05 -44.23 93.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.93 -41.71 99.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.69 94.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.379 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.72 90.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.94 72.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.032 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -74.73 -33.48 62.38 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.509 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 98.2 p -62.39 -34.76 77.35 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.497 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.34 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 110.579 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.412 ' OG1' HG22 ' A' ' 34' ' ' THR . 77.7 p -86.99 -24.67 24.6 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 57.35 55.01 6.12 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.434 0.635 . . . . 0.0 110.4 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' OG1' ' A' ' 32' ' ' THR . 8.9 t -120.84 132.94 55.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.673 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.9 -27.4 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.563 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.64 -42.48 78.95 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.95 -174.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.93 -34.35 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.437 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD11 HD23 ' A' ' 87' ' ' LEU . 21.2 tp -55.14 -36.19 65.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.353 -177.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -54.76 -39.71 68.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 0.0 111.195 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.5 p -69.14 -36.82 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.054 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -61.03 -45.87 93.03 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.678 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -57.67 -41.45 81.54 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.539 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.74 -37.93 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.13 -40.99 87.19 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.744 0.307 . . . . 0.0 110.673 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . 58.5 t -63.69 -39.48 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.146 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.21 -41.84 76.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -64.23 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 175.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CE1' HG11 ' A' ' 52' ' ' VAL . 31.1 t80 -68.87 -44.64 72.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.205 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 53' ' ' VAL . 89.5 t -58.3 -50.15 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.344 -175.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 t -56.07 -38.95 71.34 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.972 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.4 m -63.75 -42.87 97.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.193 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG11 ' CE1' ' A' ' 48' ' ' PHE . 35.6 m -83.54 -33.34 9.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -174.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 49' ' ' VAL . 99.5 t -60.37 -55.48 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -58.37 -37.4 75.17 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.693 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 59' ' ' LEU . 13.2 tp -59.92 -41.34 91.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.488 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.053 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.54 -36.57 76.5 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -113.05 -85.78 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -169.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD12 HD12 ' A' ' 55' ' ' LEU . 82.6 mt -53.55 -43.43 68.41 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 121.853 -0.529 . . . . 0.0 111.819 -168.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.8 -37.13 83.95 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.184 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -80.68 -50.91 9.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -175.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -56.33 -46.29 79.96 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.071 -173.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.98 -27.71 69.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.24 2.87 56.76 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 121.345 -0.455 . . . . 0.0 113.297 -177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -59.22 -37.8 78.38 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 117.89 0.845 . . . . 0.0 111.034 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.67 128.47 53.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -105.53 14.08 29.09 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -87.27 154.0 21.04 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 118.006 0.366 . . . . 0.0 110.53 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.71 167.17 53.64 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -47.93 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.052 0.453 . . . . 0.0 110.139 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -61.31 -36.35 79.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.418 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.632 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.38 -56.61 15.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -65.67 -34.7 78.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -58.23 -40.48 81.82 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 80' ' ' VAL . 77.1 mt -60.53 -39.28 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.214 177.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.78 -43.43 84.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -60.61 -40.48 92.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.481 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.64 -40.94 96.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.624 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 76' ' ' ILE . 72.8 t -65.21 -43.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -59.21 -41.84 89.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -60.35 -43.48 96.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.768 -177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -61.31 -40.84 95.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.517 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.94 -41.05 95.85 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.456 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 tp -65.5 -44.08 88.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.111 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -63.3 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.816 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD23 HD11 ' A' ' 38' ' ' LEU . 30.6 tp -57.03 -40.88 77.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.569 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -61.78 -42.59 99.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.285 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -59.3 -38.3 79.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.38 -42.36 98.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.65 -43.87 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.14 -28.43 68.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.05 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.06 146.04 3.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.789 -176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -57.0 -53.81 53.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.63 -27.05 60.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.334 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 pttt 42.06 47.27 3.85 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.733 0.777 . . . . 0.0 112.425 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.35 133.85 40.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.881 -175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.32 -43.03 99.01 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.512 -173.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.21 -35.52 77.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.117 0.458 . . . . 0.0 111.342 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -57.99 -39.83 79.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.822 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.7 mm -59.73 -51.26 74.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.376 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.95 -40.36 91.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.682 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -60.64 -44.08 96.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.398 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 93.3 mmm -69.86 -38.6 76.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.012 -178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 101' ' ' ILE . 80.5 t -63.07 -38.19 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.403 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.34 -38.08 70.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.0 -36.81 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.064 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.4 mm -57.12 -48.93 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.743 0.306 . . . . 0.0 110.458 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -61.51 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.058 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.03 79.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.198 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.38 -39.97 74.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.58 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 115' ' ' ILE . 93.8 mt -66.67 -38.81 87.59 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.711 -176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -72.57 -35.09 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.515 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -67.59 -35.25 78.62 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 112' ' ' LEU . 17.6 tt -57.21 -30.79 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -173.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -119.48 27.86 8.52 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.6 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.786 0.327 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.11 144.16 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.671 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.14 148.96 48.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.58 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.73 154.1 48.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.65 156.42 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.603 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.77 150.79 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -55.93 -38.76 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.48 -39.5 93.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.821 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.58 -38.96 84.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.96 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 97.7 p -62.58 -38.99 92.24 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.976 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -69.03 -37.81 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.014 178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -57.04 -42.97 81.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.344 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -66.69 -37.64 85.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.001 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -60.46 -47.48 85.93 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.088 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 52' ' ' VAL . 2.3 mp -67.2 -40.3 86.45 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.813 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -59.05 -44.36 91.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.064 -171.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.38 -40.42 70.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.781 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -65.52 -34.78 79.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.081 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 88.5 mmm -53.45 -41.15 65.82 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.02 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.1 ttp-105 -60.89 -41.13 95.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.349 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -62.17 -42.86 99.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.64 -176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -60.69 -49.2 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -66.55 -39.86 88.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.337 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.61 71.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.56 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -66.13 -39.67 90.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.727 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.54 81.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.281 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.3 91.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.878 0.37 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 -39.2 69.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -62.25 -39.38 92.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.628 0.251 . . . . 0.0 110.56 -179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -63.09 -37.79 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.173 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.82 -48.33 8.87 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.028 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -65.12 -46.36 81.32 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 55.38 53.98 9.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.299 0.571 . . . . 0.0 111.093 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.3 t -115.57 140.94 48.7 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.61 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.8 tp -67.27 -33.7 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.997 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.39 -42.99 99.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -174.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -69.75 -30.99 68.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.903 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.63 -37.46 65.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.514 0.197 . . . . 0.0 111.281 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.852 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 m -64.99 -41.82 95.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.748 0.309 . . . . 0.0 111.011 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -61.29 -40.89 95.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.121 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -57.19 -40.24 76.98 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.656 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.85 -39.07 92.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.756 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -61.57 -45.43 94.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.822 0.344 . . . . 0.0 110.823 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 49' ' ' VAL . 55.6 t -64.95 -40.52 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.003 178.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.66 91.33 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.35 -41.03 90.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.656 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 52' ' ' VAL . 91.1 t80 -62.74 -47.29 84.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.036 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 45' ' ' VAL . 84.4 t -68.36 -50.35 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -55.96 -43.62 77.69 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.03 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.6 m -57.93 -40.57 80.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.65 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 48' ' ' PHE . 60.0 t -64.15 -41.45 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' VAL . 46.9 t -58.12 -45.71 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.581 -175.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -59.67 -39.63 85.11 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.772 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD23 HD12 ' A' ' 59' ' ' LEU . 28.5 mt -67.8 -41.53 82.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.62 -49.28 22.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.825 -174.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.49 -40.97 80.73 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.1 -73.09 0.67 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -172.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD12 HD23 ' A' ' 55' ' ' LEU . 85.9 mt -52.43 -57.96 8.22 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -170.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -69.17 -35.83 76.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.604 -177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -60.01 -46.78 88.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.039 -176.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.79 -45.32 86.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.96 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -62.96 -33.62 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.527 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.45 56.66 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 121.26 -0.495 . . . . 0.0 113.248 -177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.11 -39.84 83.52 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 117.989 0.894 . . . . 0.0 110.624 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -108.77 117.14 33.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.278 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.87 1.67 55.35 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -65.23 142.09 58.42 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-N 118.231 0.468 . . . . 0.0 110.553 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.28 154.03 29.71 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -55.12 -38.74 68.57 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.268 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.3 m -60.96 -43.02 99.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.722 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.22 -39.49 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.218 -177.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.97 -41.81 92.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.373 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.26 -37.77 81.44 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.954 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -59.2 -42.31 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.011 -0.275 . . . . 0.0 110.368 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 80' ' ' VAL . 46.4 mm -64.08 -37.99 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 -179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.7 -44.49 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -61.97 -38.88 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.922 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -64.9 -41.85 95.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.953 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 76' ' ' ILE . 59.2 t -60.69 -45.75 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -62.13 -39.72 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -59.04 -46.14 88.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.016 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -62.68 -42.34 99.57 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.79 -40.86 92.36 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.117 177.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.92 -42.63 99.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.209 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.45 -40.07 95.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 87' ' ' LEU . 9.1 tt -58.56 -43.15 89.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.961 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.2 m -60.38 -41.97 94.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.321 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -59.6 -40.62 88.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.609 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.0 77.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.501 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.45 -42.42 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.58 -40.15 78.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.476 175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.53 -10.11 56.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 65.76 56.03 0.93 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.411 0.624 . . . . 0.0 110.611 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -56.42 139.21 49.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -93.3 0.61 57.04 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -133.16 154.94 50.15 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-N 118.338 0.517 . . . . 0.0 110.613 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.46 -24.42 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.685 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -55.04 -36.91 66.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 117.48 0.64 . . . . 0.0 111.24 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.89 -41.52 97.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.608 178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.2 mt -70.71 -43.32 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.6 mt -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -174.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -63.92 -31.29 72.42 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.617 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.6 mtt -65.4 -37.52 87.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.051 -0.259 . . . . 0.0 110.658 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' HD12 ' A' ' 108' ' ' ILE . 55.5 t -58.59 -39.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.9 -40.15 83.62 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.487 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.53 -41.12 89.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.382 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 105' ' ' VAL . 92.2 mt -58.56 -41.94 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 176.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.77 -48.44 46.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.502 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.02 93.11 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.3 mt -56.22 -46.7 79.42 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 112' ' ' LEU . 3.1 mm? -75.57 -49.85 17.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.86 0.362 . . . . 0.0 110.214 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.5 mm -58.24 -39.47 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.327 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -88.61 15.0 8.74 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.9 tp -55.42 -29.01 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -54.04 156.2 3.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.3 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.678 -178.472 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.57 144.34 57.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.136 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.26 145.43 53.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.629 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.49 ' HB3' ' OG ' ' A' ' 10' ' ' SER . . . -140.22 150.37 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.456 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.83 91.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB1' ' OD1' ' A' ' 8' ' ' ASP . . . -106.12 137.04 44.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.22 -37.74 88.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' OD1' ' HB1' ' A' ' 6' ' ' ALA . 23.5 p-10 -59.75 -39.47 84.9 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.725 -177.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.23 -40.4 82.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.539 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.49 ' OG ' ' HB3' ' A' ' 4' ' ' ALA . 19.6 m -60.45 -39.12 86.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.01 96.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.616 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -60.09 -45.24 93.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.788 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.37 -38.42 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.031 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.66 -41.78 91.34 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.443 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.72 -39.81 91.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.713 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -59.96 -40.72 89.98 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.811 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.57 -36.43 83.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.91 -39.72 90.44 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.05 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtm -60.01 -36.9 78.22 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.7 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt85 -55.11 -37.67 67.16 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.754 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -62.28 -43.78 98.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.927 0.394 . . . . 0.0 109.957 175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.17 -46.17 96.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.905 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.5 -41.42 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.48 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.239 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -60.68 -41.18 94.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.222 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.23 98.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.48 91.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.824 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.79 -46.41 75.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.905 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.75 -31.12 46.13 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.803 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -55.41 -35.1 65.0 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.439 -178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -64.5 -40.46 95.69 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.09 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -90.37 -31.27 16.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 56.9 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.307 0.575 . . . . 0.0 110.314 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -132.45 144.61 50.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.403 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 tt -77.38 -17.25 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -56.13 -40.16 73.35 Favored 'General case' 0 C--N 1.333 -0.137 0 O-C-N 122.265 -0.272 . . . . 0.0 111.72 -171.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -104.96 15.9 26.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.06 -37.1 85.86 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 122.276 -0.265 . . . . 0.0 111.009 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -56.85 -38.8 73.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.109 -178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.0 p -62.41 -37.32 85.35 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.706 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -62.25 -56.56 17.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -56.74 -37.85 71.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.087 -175.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.45 -41.61 94.45 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.268 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -64.73 -40.82 95.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG11 HD11 ' A' ' 84' ' ' LEU . 54.4 t -62.71 -41.11 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.977 178.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.22 85.0 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.384 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -65.15 -41.49 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.369 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.675 ' CE1' HD22 ' A' ' 112' ' ' LEU . 11.4 t80 -58.18 -45.03 88.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.461 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 112' ' ' LEU . 61.6 t -65.98 -44.48 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -57.38 -42.96 83.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.724 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.4 m -62.15 -42.9 99.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.365 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 48' ' ' PHE . 58.2 t -68.56 -45.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.016 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 49' ' ' VAL . 69.3 t -63.6 -45.65 97.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.08 -40.71 86.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.401 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.37 -37.03 76.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.87 92.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 111.367 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.21 -39.68 62.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -89.91 -88.7 0.16 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -169.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.4 mt -65.97 -43.3 88.29 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -169.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -65.18 -35.89 82.51 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.736 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -61.1 -49.89 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.34 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.3 mtt85 -62.98 -41.27 99.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.925 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -60.92 -32.28 71.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.567 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.47 -11.14 63.24 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.996 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.11 -36.5 75.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 117.892 0.846 . . . . 0.0 111.282 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -99.05 107.49 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 111.108 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -106.84 -3.65 20.1 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.3 146.65 53.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 118.172 0.442 . . . . 0.0 110.402 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.5 168.72 46.4 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -58.77 -40.18 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.818 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 72' ' ' GLU . 7.3 t -62.22 -42.02 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.054 -178.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 71' ' ' THR . 96.7 mt-10 -64.91 -39.6 93.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.889 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.652 HG23 HG22 ' A' ' 115' ' ' ILE . 71.0 mt -65.57 -37.02 79.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.599 178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -66.69 -44.03 82.82 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -59.89 -45.83 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.117 -173.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 80' ' ' VAL . 47.6 mm -60.86 -38.45 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.606 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.541 HG13 HG11 ' A' ' 49' ' ' VAL . 91.5 t -58.71 -42.61 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -58.28 -41.28 84.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.25 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.57 -39.05 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.539 HG22 HD23 ' A' ' 111' ' ' LEU . 65.6 t -63.16 -41.38 92.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.48 ' HA ' HD12 ' A' ' 84' ' ' LEU . 30.0 t0 -56.99 -41.52 78.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.78 0.324 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -60.05 -41.6 92.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.511 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -59.97 -41.16 91.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.348 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD11 HG11 ' A' ' 45' ' ' VAL . 32.2 mt -61.4 -40.05 92.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.152 175.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.67 -37.01 85.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.977 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -57.47 -40.01 77.61 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.436 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 26.4 tp -61.93 -40.65 96.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.208 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.2 m -58.7 -40.5 83.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.473 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -59.23 -40.66 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.531 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.78 -44.51 77.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.516 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.35 -43.3 98.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.04 -39.11 80.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.579 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.52 -19.09 65.39 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp 66.18 48.67 1.64 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.408 0.623 . . . . 0.0 110.485 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -60.06 141.7 55.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.557 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -102.11 27.41 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -127.9 139.91 52.32 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.66 -44.16 3.74 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.241 -173.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.57 -37.03 72.48 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.084 -176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.29 -37.85 81.78 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.995 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.489 ' O ' HG23 ' A' ' 105' ' ' VAL . 48.0 mm -57.42 -50.32 77.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.365 . . . . 0.0 110.13 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.78 -36.37 83.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.3 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -56.44 -43.69 79.73 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.865 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 44.7 ttm -66.63 -39.13 88.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.86 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.628 ' HA ' HD12 ' A' ' 108' ' ' ILE . 84.4 t -58.18 -38.28 67.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.38 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.1 78.12 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.622 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.54 -38.46 87.21 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.836 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 105' ' ' VAL . 84.6 mt -57.81 -47.58 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -65.66 -38.67 89.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.221 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.17 99.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.403 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 80' ' ' VAL . 26.4 tp -73.64 -37.86 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.786 0.327 . . . . 0.0 111.41 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.675 HD22 ' CE1' ' A' ' 48' ' ' PHE . 6.0 tt -63.97 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.152 -172.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.0 tt -69.41 -28.24 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -90.61 11.1 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -174.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.652 HG22 HG23 ' A' ' 73' ' ' ILE . 71.5 mt -55.32 -43.67 72.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 118.077 0.399 . . . . 0.0 110.708 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -95.86 18.1 13.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.518 179.037 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.38 144.56 56.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.82 152.97 40.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.519 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.26 139.48 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.645 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.6 81.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.254 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 135.71 57.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 0.0 110.746 -177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -63.47 -38.96 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -59.35 -45.88 90.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.731 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -72.11 -39.96 68.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.763 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 m -61.62 -39.96 93.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -40.13 95.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.833 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -59.44 -41.85 90.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.878 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.03 -42.96 99.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.821 -178.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -62.49 -42.68 99.66 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.7 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.46 -38.57 91.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.86 -40.39 97.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.574 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.69 -37.98 88.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.994 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.09 -40.32 93.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 113' ' ' ILE . 65.1 mmm -55.85 -41.38 74.25 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.217 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -57.64 -36.38 71.76 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.562 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.16 73.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.464 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG23 ' HE2' ' A' ' 41' ' ' PHE . 29.2 mm -57.91 -44.06 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.031 -176.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.19 -39.72 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.744 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.94 99.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.32 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -61.23 -39.61 90.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' ' 105' ' ' VAL . . . -62.55 -39.44 93.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.92 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.99 99.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.427 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -41.77 78.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.628 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.3 tp -60.12 -40.43 89.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.9 p -63.98 -34.9 79.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.439 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -80.6 -53.96 6.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.674 0.273 . . . . 0.0 111.271 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -74.14 -45.07 51.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.811 0.339 . . . . 0.0 111.126 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.2 mtm-85 53.12 52.41 13.77 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.459 0.647 . . . . 0.0 111.105 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 t -129.48 152.26 49.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.908 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HB ' HG11 ' A' ' 91' ' ' VAL . 7.6 tp -62.57 -31.35 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.997 -178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.11 -44.52 83.31 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.725 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -70.51 -39.54 74.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.64 -38.99 89.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.12 -40.3 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.762 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.0 p -71.52 -36.25 70.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.257 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HE2' HG23 ' A' ' 22' ' ' ILE . 5.2 t80 -59.74 -44.5 93.76 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.902 -178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -60.68 -41.07 94.35 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.632 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -61.95 -42.38 99.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.63 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -68.35 -40.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.109 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.78 78.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.784 0.326 . . . . 0.0 110.394 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -61.44 -39.67 91.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.591 175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HD11 ' A' ' 112' ' ' LEU . 51.0 t80 -61.64 -47.35 85.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.28 -34.84 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.641 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 m -57.06 -45.69 83.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.775 0.321 . . . . 0.0 110.381 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 m -60.2 -40.8 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -67.19 -51.7 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.753 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 p -65.1 -38.38 82.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.941 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -58.67 -39.0 79.41 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.618 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.24 -39.55 94.94 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.087 -0.245 . . . . 0.0 110.615 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HA ' HD12 ' A' ' 59' ' ' LEU . . . -61.9 -41.88 98.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 0.0 110.47 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.78 -38.49 91.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.68 -38.84 89.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.164 -178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.586 HD23 HH21 ' A' ' 62' ' ' ARG . 29.0 mt -61.83 -38.11 86.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.108 -178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.39 -39.03 93.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.975 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -63.77 -51.58 64.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.801 0.334 . . . . 0.0 110.709 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.586 HH21 HD23 ' A' ' 59' ' ' LEU . 81.7 mtm180 -70.24 -46.18 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.404 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -91.67 -63.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.477 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.23 -52.58 0.63 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.621 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -124.8 150.56 46.21 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.945 0.402 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -116.93 145.48 43.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -54.16 -31.17 51.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.696 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -122.18 142.09 50.78 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 172.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.21 173.55 53.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -58.98 -43.44 91.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.708 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.7 p -69.22 -36.82 77.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.447 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.93 -39.88 94.19 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.039 -177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.52 -39.85 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.609 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -63.55 -34.33 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.489 -177.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -56.75 -41.38 77.45 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.868 -175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 76' ' ' ILE . 5.2 mp -65.34 -36.89 78.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 120.62 -0.432 . . . . 0.0 109.986 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.74 -46.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 121.124 -0.23 . . . . 0.0 110.576 -177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -75.48 -39.7 58.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.811 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -60.61 -37.5 81.63 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.943 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 76' ' ' ILE . 91.3 t -64.76 -40.88 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -57.85 -39.76 78.53 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.412 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -57.91 -41.96 83.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.8 0.333 . . . . 0.0 110.307 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -61.66 -41.85 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.99 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.08 -37.58 87.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.545 176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.15 -38.38 90.95 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.606 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -58.87 -39.92 82.81 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.254 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.8 mt -60.63 -42.78 97.59 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 174.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.0 m -60.71 -43.4 97.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -57.37 -39.33 75.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.01 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.545 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 87' ' ' LEU . 71.2 t -62.6 -46.0 97.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.81 -37.67 88.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.77 175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.79 -24.75 67.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt 63.06 43.89 6.23 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.272 0.558 . . . . 0.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -58.96 142.34 51.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.529 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -89.26 -5.13 57.85 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -132.43 143.04 49.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 118.28 0.491 . . . . 0.0 111.137 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 101' ' ' ILE . . . -99.15 3.29 58.25 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.465 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.96 -41.18 95.83 Favored 'General case' 0 C--O 1.23 0.035 0 CA-C-N 118.174 0.987 . . . . 0.0 110.483 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -63.49 -41.29 98.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.498 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.415 HD12 ' HA2' ' A' ' 98' ' ' GLY . 75.9 mt -60.97 -40.8 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.51 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.4 tp -58.78 -43.66 90.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.721 -174.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 19.8 p30 -72.54 -32.48 66.12 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.551 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 65.7 mtt -59.84 -37.56 79.58 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.691 176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 26' ' ' ALA . 51.7 t -60.51 -38.37 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 103' ' ' ASN . . . -56.08 -37.38 69.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.62 0.247 . . . . 0.0 110.766 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.8 -38.06 89.2 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.604 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 45.4 mm -59.87 -52.17 64.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.17 -38.23 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.145 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.83 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.683 -176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.76 -37.51 76.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.476 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 48' ' ' PHE . 21.3 tp -66.17 -46.08 78.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.253 -171.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.586 HD11 ' CE ' ' A' ' 19' ' ' MET . 51.2 mm -68.14 -42.53 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.168 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -100.4 28.52 4.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.1 tt -58.59 -31.53 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.15 30.58 6.07 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -177.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.489 177.187 . . . . . . . . 0 0 . 1 stop_ save_