data_4uzw_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4uzw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.749 0.309 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 34' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' CG1' ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' CD1' ' CG1' ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.587 0.232 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 19' ' ' ARG . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 26' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.688 0.28 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.404 ' CE2' HD23 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' CE2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.705 0.288 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 34' ' ' LEU . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.641 0.258 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 34' ' ' LEU . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.461 0.108 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.416 ' CD2' HD11 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.755 0.312 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.707 0.289 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.97 -29.36 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -29.81 66.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' CD2' HD11 ' A' ' 34' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.48 -36.64 73.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.05 -38.97 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.21 75.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -72.61 -21.06 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.57 -34.61 3.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 60.62 159.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.6 107.11 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.85 107.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 m -136.34 149.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 t -109.95 102.45 50.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.25 154.73 71.55 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.435 2.09 . . . . 0.0 112.247 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.89 -30.1 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -28.96 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -70.65 -37.54 73.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.02 -38.98 86.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -68.59 -33.09 73.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.88 -21.12 51.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.63 -149.55 19.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -102.4 146.8 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.84 118.26 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -104.87 -33.19 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -116.98 138.1 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -86.63 -52.7 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 48' ' ' SER . 53.5 Cg_exo -52.44 140.84 52.99 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.177 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.948 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -31.04 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -28.78 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.07 -35.53 71.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.03 -38.92 86.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -68.9 -33.29 73.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -21.1 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.51 -70.35 1.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.83 164.46 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.8 m -169.1 143.95 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.19 137.1 46.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.2 m -113.5 -33.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.38 103.59 11.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.14 -173.86 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.402 2.068 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.828 0.346 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.07 -7.1 37.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.96 -24.53 38.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 34' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' CG1' ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' CD1' ' CG1' ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.05 -38.54 72.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.12 -38.99 86.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 m -70.06 -33.26 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.12 -21.11 40.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.94 147.92 12.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.89 132.14 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -148.09 155.97 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.77 148.77 43.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 m -104.94 127.33 28.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -62.03 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.43 2.087 . . . . 0.0 112.271 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.918 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 10.4 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.08 -6.05 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -14.34 62.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 1' ' ' SER . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HG ' ' HB3' ' A' ' 19' ' ' ARG . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.71 -34.46 76.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.88 -39.02 87.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -66.85 -32.59 73.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -21.08 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.07 -156.51 8.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.96 -46.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -99.54 161.62 13.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.89 87.95 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 m -142.56 88.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.97 89.83 10.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.38 171.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.131 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.883 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.94 -29.58 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.04 -28.65 69.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 26' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.03 -41.57 70.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -67.09 -39.94 86.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 p -70.12 -33.55 71.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -86.29 -21.03 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.78 128.71 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.13 -30.22 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -166.03 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -112.2 126.02 54.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 141.45 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.87 107.17 15.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.69 143.26 55.67 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.377 2.052 . . . . 0.0 112.241 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.813 0.339 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -13.94 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.542 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -32.97 37.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.453 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.01 -36.52 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.01 -38.93 86.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -31.68 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -21.11 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.5 110.56 2.06 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -151.93 127.54 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -134.65 26.85 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.16 106.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.06 135.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.23 133.17 22.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.13 140.17 24.79 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.415 2.077 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.01 -30.03 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' CE2' HD23 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD23 ' CE2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.94 -37.02 72.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.09 -38.94 86.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.0 m -70.1 -31.68 69.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -86.95 -21.05 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 152.79 44.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -137.08 169.92 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.51 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 56.62 103.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.76 171.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -170.17 -57.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 49.1 Cg_exo -55.65 -50.19 13.44 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.235 1.957 . . . . 0.0 112.203 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.453 ' CB ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.32 -21.81 17.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.54 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -33.1 42.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.517 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CE2' ' CB ' ' A' ' 1' ' ' SER . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -71.03 -36.14 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -68.76 -33.18 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -75.39 -21.13 58.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.8 172.85 19.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.55 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.95 138.73 35.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 m -108.29 126.66 53.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.38 121.36 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 m -149.53 134.5 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m 61.53 154.33 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.44 -61.13 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.606 2.204 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.861 0.362 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.05 -29.64 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -30.58 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.412 ' CD2' HD11 ' A' ' 34' ' ' LEU . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.02 -36.86 72.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -38.94 86.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -28.96 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -68.95 -21.11 64.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.72 115.11 3.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 139.77 35.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -38.96 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 64.23 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 t 67.39 103.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -73.47 -60.88 1.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 58.5 Cg_endo -71.86 150.94 56.37 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.508 2.139 . . . . 0.0 112.373 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.19 -13.49 23.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.5 -31.17 44.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.246 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 34' ' ' LEU . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -33.21 71.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.92 -38.91 89.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -69.1 -31.58 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -82.81 -21.08 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 129.59 11.82 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.558 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.6 138.0 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 m -109.68 35.76 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -111.97 150.48 30.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.05 135.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 p -165.73 155.1 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.53 115.49 3.92 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.153 . . . . 0.0 112.254 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.877 0.37 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 -23.19 16.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -53.0 -35.36 59.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.09 -31.97 72.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -38.89 86.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 p -62.98 -33.12 74.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -82.17 -21.13 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.81 93.9 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.01 177.62 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -101.6 136.98 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.57 -46.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.71 -32.71 41.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -127.33 154.17 77.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -30.23 18.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.631 2.22 . . . . 0.0 112.257 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.88 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.96 -30.31 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.2 -29.49 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.416 ' CD2' HD11 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' CD2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.78 -39.73 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -38.97 86.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 m -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 7.15 35.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.414 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 173.85 55.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.18 163.42 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.85 161.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -124.42 173.86 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.97 95.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.415 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -93.33 -54.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 52.2 Cg_exo -54.57 166.32 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.381 2.054 . . . . 0.0 112.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.404 ' N ' ' CE2' ' A' ' 4' ' ' TYR . 72.9 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -30.81 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.78 -29.29 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' CE2' ' N ' ' A' ' 1' ' ' SER . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.1 -36.85 72.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.91 -39.02 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -69.71 -33.95 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -84.3 -21.09 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.82 -134.7 3.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -155.82 159.19 39.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -79.12 161.83 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.62 31.1 3.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -103.88 156.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -101.6 118.17 60.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 -45.16 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.412 2.075 . . . . 0.0 112.247 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -10.24 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.474 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -23.61 23.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -71.05 -34.58 71.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -67.07 -38.9 86.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -69.1 -40.79 78.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -21.0 31.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.94 -171.06 22.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.62 -28.89 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m 63.93 124.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.64 -177.13 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.78 -38.43 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 123.33 0.23 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.88 143.65 59.13 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.364 2.043 . . . . 0.0 112.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.962 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.791 0.329 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.58 -30.06 14.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.97 -29.7 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -70.66 -34.99 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.94 -39.98 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.28 71.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.32 -21.08 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.214 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.13 99.8 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.585 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -178.9 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -116.97 164.01 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.46 91.77 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.5 -39.97 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -148.11 146.03 22.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.63 155.29 49.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.59 2.194 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.415 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.876 0.369 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.26 -20.0 18.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.474 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.0 -28.0 15.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.441 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 1' ' ' SER . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -36.2 72.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -38.97 87.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -68.29 -33.1 73.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -75.63 -21.02 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.16 -59.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -86.94 148.77 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 127.14 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -145.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -99.77 142.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -176.48 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 50.9 Cg_endo -69.17 131.2 21.55 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.367 2.044 . . . . 0.0 112.34 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.6 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 -5.85 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.5 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -22.11 24.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.41 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -62.01 -37.37 84.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.09 -41.59 86.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.7 p -70.04 -33.6 72.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -21.04 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.07 45.59 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.01 -36.02 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -84.47 169.42 14.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.5 31.04 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.6 m -105.77 -31.18 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 163.02 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 124.7 11.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.867 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.775 0.321 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 -29.34 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.64 -30.35 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.98 -36.43 72.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.03 -38.98 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 p -68.16 -32.77 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.23 -21.14 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.32 -81.04 1.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.6 159.14 28.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -91.7 118.71 30.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -163.65 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.8 p -89.93 131.17 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.51 97.81 41.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.74 -55.99 3.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.422 ' HB3' ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.342 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.28 -21.02 18.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.562 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -28.09 17.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.461 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 1' ' ' SER . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -71.01 -37.31 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.99 -39.02 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -35.67 80.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -90.19 -21.1 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.68 155.54 23.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.625 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -141.99 136.61 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -107.3 -33.1 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -105.39 142.29 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.0 132.78 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m 62.75 147.46 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 162.22 41.67 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.601 2.2 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.915 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.638 ' HB3' HD21 ' A' ' 12' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.847 ' HB2' HD23 ' A' ' 16' ' ' LEU . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 16' ' ' LEU . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 16' ' ' LEU . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 35' ' ' ILE . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 31' ' ' VAL . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.632 ' HB3' HD21 ' A' ' 12' ' ' LEU . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.433 ' HB3' HG11 ' A' ' 31' ' ' VAL . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' OE1' ' A' ' 11' ' ' GLN . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HD2' ' A' ' 13' ' ' LYS . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' OE1' HG23 ' A' ' 8' ' ' THR . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.654 ' HD2' HG12 ' A' ' 9' ' ' VAL . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CB ' HD23 ' A' ' 16' ' ' LEU . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 16' ' ' LEU . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 16' ' ' LEU . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 27' ' ' LYS . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.718 HD11 HG12 ' A' ' 31' ' ' VAL . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.749 0.309 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.792 ' HB2' HG13 ' A' ' 31' ' ' VAL . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.848 ' HB2' HD23 ' A' ' 16' ' ' LEU . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 16' ' ' LEU . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 16' ' ' LEU . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.792 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.76 HD11 HG12 ' A' ' 31' ' ' VAL . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 12' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.554 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 12' ' ' LEU . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 16' ' ' LEU . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 16' ' ' LEU . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.846 HG12 ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.846 ' CD1' HG12 ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.587 0.232 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.601 ' HB2' HG13 ' A' ' 31' ' ' VAL . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 21' ' ' LEU . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 HD23 ' A' ' 16' ' ' LEU . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 30' ' ' LEU . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HD11 ' A' ' 35' ' ' ILE . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' HD12 ' A' ' 35' ' ' ILE . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 HG12 ' A' ' 31' ' ' VAL . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.619 ' HB3' HD21 ' A' ' 12' ' ' LEU . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 27' ' ' LYS . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 4' ' ' TYR . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' LEU . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.747 ' HB3' HD11 ' A' ' 16' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 4' ' ' TYR . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 4' ' ' TYR . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 31' ' ' VAL . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.688 0.28 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.722 ' HB3' HD21 ' A' ' 12' ' ' LEU . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 11' ' ' GLN . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 8' ' ' THR . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HB2' HD23 ' A' ' 16' ' ' LEU . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HD13 ' A' ' 16' ' ' LEU . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 16' ' ' LEU . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.731 HG12 ' CD1' ' A' ' 35' ' ' ILE . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 4' ' ' TYR . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.731 ' CD1' HG12 ' A' ' 31' ' ' VAL . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.711 ' CD2' HD13 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.744 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' CB ' HD23 ' A' ' 16' ' ' LEU . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 16' ' ' LEU . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 16' ' ' LEU . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 35' ' ' ILE . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.54 ' CD1' HG12 ' A' ' 31' ' ' VAL . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.705 0.288 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.79 ' HB2' HG13 ' A' ' 31' ' ' VAL . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.881 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.881 ' HB2' HD23 ' A' ' 16' ' ' LEU . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 16' ' ' LEU . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 31' ' ' VAL . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.769 ' HB2' HG13 ' A' ' 31' ' ' VAL . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB3' HG11 ' A' ' 31' ' ' VAL . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.601 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 8' ' ' THR . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG12 ' A' ' 23' ' ' VAL . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.773 ' HB2' HD23 ' A' ' 16' ' ' LEU . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG12 HD13 ' A' ' 16' ' ' LEU . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 16' ' ' LEU . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 4' ' ' TYR . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 31' ' ' VAL . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' OD1' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.641 0.258 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.779 ' HB2' HG13 ' A' ' 31' ' ' VAL . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HG12 ' A' ' 23' ' ' VAL . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' A' ' 33' ' ' ARG . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG12 HD12 ' A' ' 16' ' ' LEU . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 4' ' ' TYR . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 35' ' ' ILE . 7.5 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 21' ' ' LEU . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 31' ' ' VAL . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.461 0.108 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.787 ' HB2' HG13 ' A' ' 31' ' ' VAL . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 23' ' ' VAL . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' HD23 ' A' ' 16' ' ' LEU . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 16' ' ' LEU . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 16' ' ' LEU . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 4' ' ' TYR . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 32' ' ' GLN . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.72 ' CE2' HD22 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.433 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.825 ' HB2' HD23 ' A' ' 16' ' ' LEU . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD22 HD13 ' A' ' 16' ' ' LEU . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 35' ' ' ILE . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD22 ' CE2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 31' ' ' VAL . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.791 ' HB2' HG13 ' A' ' 31' ' ' VAL . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 13' ' ' LYS . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD2' HG12 ' A' ' 9' ' ' VAL . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.824 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 4' ' ' TYR . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.851 ' HB2' HG13 ' A' ' 31' ' ' VAL . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 11' ' ' GLN . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 16' ' ' LEU . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.835 ' HB2' HD23 ' A' ' 16' ' ' LEU . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG12 HD13 ' A' ' 16' ' ' LEU . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 16' ' ' LEU . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.851 HG13 ' HB2' ' A' ' 4' ' ' TYR . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 31' ' ' VAL . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.755 0.312 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.683 ' HB2' HG13 ' A' ' 31' ' ' VAL . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.46 ' HB3' HG11 ' A' ' 31' ' ' VAL . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.876 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.876 ' HB2' HD23 ' A' ' 16' ' ' LEU . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 16' ' ' LEU . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 35' ' ' ILE . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 31' ' ' VAL . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.774 ' HB2' HG13 ' A' ' 31' ' ' VAL . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 13' ' ' LYS . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 9' ' ' VAL . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 HD22 ' A' ' 30' ' ' LEU . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 16' ' ' LEU . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.781 HD22 HD13 ' A' ' 16' ' ' LEU . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 35' ' ' ILE . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.805 HD11 HG12 ' A' ' 31' ' ' VAL . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.746 ' HB3' HD21 ' A' ' 12' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.76 ' CD1' HD22 ' A' ' 30' ' ' LEU . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 33' ' ' ARG . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 16' ' ' LEU . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.76 HD22 ' CD1' ' A' ' 16' ' ' LEU . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 4' ' ' TYR . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 31' ' ' VAL . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.609 ' CD2' HD13 ' A' ' 34' ' ' LEU . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 30' ' ' LEU . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.903 ' HB3' HD11 ' A' ' 16' ' ' LEU . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 35' ' ' ILE . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' HD22 ' A' ' 21' ' ' LEU . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 4' ' ' TYR . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 31' ' ' VAL . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.707 0.289 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.833 ' HB2' HG13 ' A' ' 31' ' ' VAL . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 27' ' ' LYS . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' A' ' 34' ' ' LEU . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.771 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 16' ' ' LEU . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 30' ' ' LEU . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 16' ' ' LEU . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.833 HG13 ' HB2' ' A' ' 4' ' ' TYR . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HD2' ' A' ' 19' ' ' ARG . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.787 HD11 HG12 ' A' ' 31' ' ' VAL . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.97 -29.36 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -29.81 66.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.638 ' HB3' HD21 ' A' ' 12' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.847 ' HB2' HD23 ' A' ' 16' ' ' LEU . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 16' ' ' LEU . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 16' ' ' LEU . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 35' ' ' ILE . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 31' ' ' VAL . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.48 -36.64 73.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.05 -38.97 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.21 75.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -72.61 -21.06 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.57 -34.61 3.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 60.62 159.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.6 107.11 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.85 107.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 m -136.34 149.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 t -109.95 102.45 50.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.25 154.73 71.55 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.435 2.09 . . . . 0.0 112.247 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.89 -30.1 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -28.96 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.632 ' HB3' HD21 ' A' ' 12' ' ' LEU . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' HB3' HG11 ' A' ' 31' ' ' VAL . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' OE1' ' A' ' 11' ' ' GLN . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HD2' ' A' ' 13' ' ' LYS . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' OE1' HG23 ' A' ' 8' ' ' THR . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.654 ' HD2' HG12 ' A' ' 9' ' ' VAL . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CB ' HD23 ' A' ' 16' ' ' LEU . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 16' ' ' LEU . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 16' ' ' LEU . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 27' ' ' LYS . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.718 HD11 HG12 ' A' ' 31' ' ' VAL . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -70.65 -37.54 73.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.02 -38.98 86.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -68.59 -33.09 73.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.88 -21.12 51.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.63 -149.55 19.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -102.4 146.8 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.84 118.26 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -104.87 -33.19 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -116.98 138.1 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -86.63 -52.7 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 48' ' ' SER . 53.5 Cg_exo -52.44 140.84 52.99 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.177 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.948 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -31.04 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -28.78 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.792 ' HB2' HG13 ' A' ' 31' ' ' VAL . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.848 ' HB2' HD23 ' A' ' 16' ' ' LEU . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 16' ' ' LEU . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 16' ' ' LEU . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.792 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.76 HD11 HG12 ' A' ' 31' ' ' VAL . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.07 -35.53 71.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.03 -38.92 86.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -68.9 -33.29 73.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -21.1 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.51 -70.35 1.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.83 164.46 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.8 m -169.1 143.95 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.19 137.1 46.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.2 m -113.5 -33.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.38 103.59 11.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.14 -173.86 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.402 2.068 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.828 0.346 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.07 -7.1 37.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.96 -24.53 38.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 12' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.554 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 12' ' ' LEU . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 16' ' ' LEU . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 16' ' ' LEU . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.846 HG12 ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.846 ' CD1' HG12 ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.05 -38.54 72.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.12 -38.99 86.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 m -70.06 -33.26 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.12 -21.11 40.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.94 147.92 12.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.89 132.14 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -148.09 155.97 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.77 148.77 43.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 m -104.94 127.33 28.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -62.03 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.43 2.087 . . . . 0.0 112.271 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.918 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 10.4 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.08 -6.05 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -14.34 62.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.601 ' HB2' HG13 ' A' ' 31' ' ' VAL . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 21' ' ' LEU . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 HD23 ' A' ' 16' ' ' LEU . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 30' ' ' LEU . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HD11 ' A' ' 35' ' ' ILE . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' HD12 ' A' ' 35' ' ' ILE . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 HG12 ' A' ' 31' ' ' VAL . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.71 -34.46 76.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.88 -39.02 87.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -66.85 -32.59 73.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -21.08 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.07 -156.51 8.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.96 -46.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -99.54 161.62 13.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.89 87.95 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 m -142.56 88.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.97 89.83 10.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.38 171.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.131 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.883 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 80.3 p . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.94 -29.58 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.04 -28.65 69.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.619 ' HB3' HD21 ' A' ' 12' ' ' LEU . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 27' ' ' LYS . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 4' ' ' TYR . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' LEU . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.747 ' HB3' HD11 ' A' ' 16' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 4' ' ' TYR . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 4' ' ' TYR . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 31' ' ' VAL . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.03 -41.57 70.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -67.09 -39.94 86.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 p -70.12 -33.55 71.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -86.29 -21.03 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.78 128.71 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.13 -30.22 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -166.03 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -112.2 126.02 54.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 141.45 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.87 107.17 15.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.69 143.26 55.67 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.377 2.052 . . . . 0.0 112.241 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.813 0.339 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -13.94 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.542 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -32.97 37.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.453 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.722 ' HB3' HD21 ' A' ' 12' ' ' LEU . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 11' ' ' GLN . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 8' ' ' THR . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HB2' HD23 ' A' ' 16' ' ' LEU . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HD13 ' A' ' 16' ' ' LEU . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 16' ' ' LEU . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.731 HG12 ' CD1' ' A' ' 35' ' ' ILE . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 4' ' ' TYR . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.731 ' CD1' HG12 ' A' ' 31' ' ' VAL . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.01 -36.52 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.01 -38.93 86.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -31.68 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -21.11 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.5 110.56 2.06 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -151.93 127.54 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -134.65 26.85 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.16 106.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.06 135.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.23 133.17 22.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.13 140.17 24.79 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.415 2.077 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.01 -30.03 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.711 ' CD2' HD13 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.744 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' CB ' HD23 ' A' ' 16' ' ' LEU . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 16' ' ' LEU . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 16' ' ' LEU . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 35' ' ' ILE . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.54 ' CD1' HG12 ' A' ' 31' ' ' VAL . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.94 -37.02 72.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.09 -38.94 86.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.0 m -70.1 -31.68 69.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -86.95 -21.05 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 152.79 44.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -137.08 169.92 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.51 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 56.62 103.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.76 171.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -170.17 -57.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 49.1 Cg_exo -55.65 -50.19 13.44 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.235 1.957 . . . . 0.0 112.203 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.453 ' CB ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.32 -21.81 17.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.54 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -33.1 42.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.517 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.79 ' HB2' HG13 ' A' ' 31' ' ' VAL . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.881 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.881 ' HB2' HD23 ' A' ' 16' ' ' LEU . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 16' ' ' LEU . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 31' ' ' VAL . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -71.03 -36.14 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -68.76 -33.18 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -75.39 -21.13 58.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.8 172.85 19.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.55 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.95 138.73 35.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 m -108.29 126.66 53.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.38 121.36 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 m -149.53 134.5 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m 61.53 154.33 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.44 -61.13 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.606 2.204 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.861 0.362 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.05 -29.64 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -30.58 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.769 ' HB2' HG13 ' A' ' 31' ' ' VAL . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB3' HG11 ' A' ' 31' ' ' VAL . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.601 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 8' ' ' THR . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG12 ' A' ' 23' ' ' VAL . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.773 ' HB2' HD23 ' A' ' 16' ' ' LEU . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG12 HD13 ' A' ' 16' ' ' LEU . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 16' ' ' LEU . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 4' ' ' TYR . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD11 ' O ' ' A' ' 1' ' ' SER . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' OD1' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.02 -36.86 72.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -38.94 86.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -28.96 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -68.95 -21.11 64.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.72 115.11 3.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 139.77 35.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -38.96 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 64.23 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 t 67.39 103.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -73.47 -60.88 1.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 58.5 Cg_endo -71.86 150.94 56.37 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.508 2.139 . . . . 0.0 112.373 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.19 -13.49 23.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.5 -31.17 44.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.246 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.779 ' HB2' HG13 ' A' ' 31' ' ' VAL . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HG12 ' A' ' 23' ' ' VAL . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' A' ' 33' ' ' ARG . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG12 HD12 ' A' ' 16' ' ' LEU . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 4' ' ' TYR . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 35' ' ' ILE . 7.5 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 21' ' ' LEU . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 31' ' ' VAL . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -33.21 71.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.92 -38.91 89.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -69.1 -31.58 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -82.81 -21.08 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 129.59 11.82 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.558 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.6 138.0 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 m -109.68 35.76 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -111.97 150.48 30.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.05 135.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 p -165.73 155.1 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.53 115.49 3.92 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.153 . . . . 0.0 112.254 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.877 0.37 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 -23.19 16.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -53.0 -35.36 59.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.787 ' HB2' HG13 ' A' ' 31' ' ' VAL . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 23' ' ' VAL . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' HD23 ' A' ' 16' ' ' LEU . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 16' ' ' LEU . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 16' ' ' LEU . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 4' ' ' TYR . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 32' ' ' GLN . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.09 -31.97 72.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -38.89 86.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 p -62.98 -33.12 74.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -82.17 -21.13 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.81 93.9 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.01 177.62 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -101.6 136.98 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.57 -46.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.71 -32.71 41.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -127.33 154.17 77.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -30.23 18.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.631 2.22 . . . . 0.0 112.257 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.88 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.96 -30.31 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.2 -29.49 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.72 ' CE2' HD22 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.825 ' HB2' HD23 ' A' ' 16' ' ' LEU . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD22 HD13 ' A' ' 16' ' ' LEU . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 35' ' ' ILE . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD22 ' CE2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 31' ' ' VAL . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.78 -39.73 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -38.97 86.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 m -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 7.15 35.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.414 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 173.85 55.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.18 163.42 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.85 161.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -124.42 173.86 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.97 95.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -93.33 -54.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 52.2 Cg_exo -54.57 166.32 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.381 2.054 . . . . 0.0 112.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.563 ' O ' HD11 ' A' ' 35' ' ' ILE . 72.9 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -30.81 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.78 -29.29 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.791 ' HB2' HG13 ' A' ' 31' ' ' VAL . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 13' ' ' LYS . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD2' HG12 ' A' ' 9' ' ' VAL . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.824 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 4' ' ' TYR . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 1' ' ' SER . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.1 -36.85 72.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.91 -39.02 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -69.71 -33.95 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -84.3 -21.09 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.82 -134.7 3.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -155.82 159.19 39.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -79.12 161.83 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.62 31.1 3.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -103.88 156.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -101.6 118.17 60.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 -45.16 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.412 2.075 . . . . 0.0 112.247 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -10.24 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.474 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -23.61 23.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.851 ' HB2' HG13 ' A' ' 31' ' ' VAL . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 11' ' ' GLN . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 16' ' ' LEU . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.835 ' HB2' HD23 ' A' ' 16' ' ' LEU . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG12 HD13 ' A' ' 16' ' ' LEU . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 16' ' ' LEU . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.851 HG13 ' HB2' ' A' ' 4' ' ' TYR . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 31' ' ' VAL . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -71.05 -34.58 71.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -67.07 -38.9 86.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -69.1 -40.79 78.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -21.0 31.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.94 -171.06 22.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.62 -28.89 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m 63.93 124.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.64 -177.13 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.78 -38.43 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 123.33 0.23 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.88 143.65 59.13 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.364 2.043 . . . . 0.0 112.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.962 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.791 0.329 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.58 -30.06 14.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.97 -29.7 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.683 ' HB2' HG13 ' A' ' 31' ' ' VAL . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.46 ' HB3' HG11 ' A' ' 31' ' ' VAL . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.876 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.876 ' HB2' HD23 ' A' ' 16' ' ' LEU . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 16' ' ' LEU . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 35' ' ' ILE . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 31' ' ' VAL . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -70.66 -34.99 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.94 -39.98 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.28 71.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.32 -21.08 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.214 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.13 99.8 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.585 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -178.9 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -116.97 164.01 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.46 91.77 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.5 -39.97 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -148.11 146.03 22.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.63 155.29 49.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.59 2.194 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.876 0.369 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.26 -20.0 18.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.474 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.0 -28.0 15.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.441 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.774 ' HB2' HG13 ' A' ' 31' ' ' VAL . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 13' ' ' LYS . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 9' ' ' VAL . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 HD22 ' A' ' 30' ' ' LEU . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 16' ' ' LEU . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.781 HD22 HD13 ' A' ' 16' ' ' LEU . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 35' ' ' ILE . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.805 HD11 HG12 ' A' ' 31' ' ' VAL . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -36.2 72.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -38.97 87.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -68.29 -33.1 73.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -75.63 -21.02 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.16 -59.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -86.94 148.77 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 127.14 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -145.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -99.77 142.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -176.48 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 50.9 Cg_endo -69.17 131.2 21.55 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.367 2.044 . . . . 0.0 112.34 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.6 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 -5.85 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.5 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -22.11 24.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.746 ' HB3' HD21 ' A' ' 12' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.76 ' CD1' HD22 ' A' ' 30' ' ' LEU . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 33' ' ' ARG . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 16' ' ' LEU . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.76 HD22 ' CD1' ' A' ' 16' ' ' LEU . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 4' ' ' TYR . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 31' ' ' VAL . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -62.01 -37.37 84.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.09 -41.59 86.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.7 p -70.04 -33.6 72.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -21.04 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.07 45.59 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.01 -36.02 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -84.47 169.42 14.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.5 31.04 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.6 m -105.77 -31.18 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 163.02 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 124.7 11.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.867 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.775 0.321 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 -29.34 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.64 -30.35 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.609 ' CD2' HD13 ' A' ' 34' ' ' LEU . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 30' ' ' LEU . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.903 ' HB3' HD11 ' A' ' 16' ' ' LEU . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 35' ' ' ILE . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' HD22 ' A' ' 21' ' ' LEU . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 4' ' ' TYR . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 31' ' ' VAL . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.98 -36.43 72.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.03 -38.98 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 p -68.16 -32.77 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.23 -21.14 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.32 -81.04 1.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.6 159.14 28.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -91.7 118.71 30.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -163.65 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.8 p -89.93 131.17 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.51 97.81 41.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.74 -55.99 3.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.342 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.28 -21.02 18.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.562 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -28.09 17.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.461 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.833 ' HB2' HG13 ' A' ' 31' ' ' VAL . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 27' ' ' LYS . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' A' ' 34' ' ' LEU . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.771 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 16' ' ' LEU . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 30' ' ' LEU . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 16' ' ' LEU . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.833 HG13 ' HB2' ' A' ' 4' ' ' TYR . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HD2' ' A' ' 19' ' ' ARG . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.787 HD11 HG12 ' A' ' 31' ' ' VAL . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -71.01 -37.31 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.99 -39.02 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -35.67 80.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -90.19 -21.1 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.68 155.54 23.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.625 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -141.99 136.61 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -107.3 -33.1 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -105.39 142.29 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.0 132.78 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m 62.75 147.46 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 162.22 41.67 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.601 2.2 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.915 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.754 0.311 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.638 ' HB3' HD21 ' A' ' 12' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.847 ' HB2' HD23 ' A' ' 16' ' ' LEU . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 16' ' ' LEU . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 16' ' ' LEU . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 35' ' ' ILE . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 31' ' ' VAL . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.807 0.337 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.632 ' HB3' HD21 ' A' ' 12' ' ' LEU . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.433 ' HB3' HG11 ' A' ' 31' ' ' VAL . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' OE1' ' A' ' 11' ' ' GLN . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HD2' ' A' ' 13' ' ' LYS . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' OE1' HG23 ' A' ' 8' ' ' THR . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.654 ' HD2' HG12 ' A' ' 9' ' ' VAL . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CB ' HD23 ' A' ' 16' ' ' LEU . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 16' ' ' LEU . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 16' ' ' LEU . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 27' ' ' LYS . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.718 HD11 HG12 ' A' ' 31' ' ' VAL . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.749 0.309 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.792 ' HB2' HG13 ' A' ' 31' ' ' VAL . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.848 ' HB2' HD23 ' A' ' 16' ' ' LEU . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 16' ' ' LEU . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 16' ' ' LEU . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.792 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.76 HD11 HG12 ' A' ' 31' ' ' VAL . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 12' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.554 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 12' ' ' LEU . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 16' ' ' LEU . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 16' ' ' LEU . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.846 HG12 ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.846 ' CD1' HG12 ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.587 0.232 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.601 ' HB2' HG13 ' A' ' 31' ' ' VAL . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 21' ' ' LEU . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 HD23 ' A' ' 16' ' ' LEU . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 30' ' ' LEU . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HD11 ' A' ' 35' ' ' ILE . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' HD12 ' A' ' 35' ' ' ILE . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 HG12 ' A' ' 31' ' ' VAL . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.705 0.288 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.619 ' HB3' HD21 ' A' ' 12' ' ' LEU . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 27' ' ' LYS . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 4' ' ' TYR . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' LEU . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 15' ' ' LEU . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.747 ' HB3' HD11 ' A' ' 16' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 4' ' ' TYR . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 4' ' ' TYR . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 31' ' ' VAL . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.688 0.28 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.722 ' HB3' HD21 ' A' ' 12' ' ' LEU . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 11' ' ' GLN . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 8' ' ' THR . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HB2' HD23 ' A' ' 16' ' ' LEU . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HD13 ' A' ' 16' ' ' LEU . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 16' ' ' LEU . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.731 HG12 ' CD1' ' A' ' 35' ' ' ILE . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 4' ' ' TYR . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.731 ' CD1' HG12 ' A' ' 31' ' ' VAL . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.711 ' CD2' HD13 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.744 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' CB ' HD23 ' A' ' 16' ' ' LEU . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 16' ' ' LEU . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 16' ' ' LEU . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 35' ' ' ILE . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.711 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.54 ' CD1' HG12 ' A' ' 31' ' ' VAL . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.705 0.288 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.79 ' HB2' HG13 ' A' ' 31' ' ' VAL . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.881 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.881 ' HB2' HD23 ' A' ' 16' ' ' LEU . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 16' ' ' LEU . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.79 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 31' ' ' VAL . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.769 ' HB2' HG13 ' A' ' 31' ' ' VAL . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB3' HG11 ' A' ' 31' ' ' VAL . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.601 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 8' ' ' THR . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG12 ' A' ' 23' ' ' VAL . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.773 ' HB2' HD23 ' A' ' 16' ' ' LEU . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.845 HG12 HD13 ' A' ' 16' ' ' LEU . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 16' ' ' LEU . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 4' ' ' TYR . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 31' ' ' VAL . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' OD1' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.641 0.258 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.779 ' HB2' HG13 ' A' ' 31' ' ' VAL . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HG12 ' A' ' 23' ' ' VAL . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' A' ' 33' ' ' ARG . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.642 HG12 HD12 ' A' ' 16' ' ' LEU . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 4' ' ' TYR . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 35' ' ' ILE . 1.2 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 21' ' ' LEU . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 31' ' ' VAL . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 N--CA 1.461 0.108 0 CA-C-O 120.692 0.282 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.787 ' HB2' HG13 ' A' ' 31' ' ' VAL . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 23' ' ' VAL . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' HD23 ' A' ' 16' ' ' LEU . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 16' ' ' LEU . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 16' ' ' LEU . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 4' ' ' TYR . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 32' ' ' GLN . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.72 ' CE2' HD22 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.433 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.825 ' HB2' HD23 ' A' ' 16' ' ' LEU . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD22 HD13 ' A' ' 16' ' ' LEU . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 35' ' ' ILE . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD22 ' CE2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 31' ' ' VAL . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.802 0.334 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.791 ' HB2' HG13 ' A' ' 31' ' ' VAL . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 13' ' ' LYS . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD2' HG12 ' A' ' 9' ' ' VAL . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.824 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 4' ' ' TYR . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.851 ' HB2' HG13 ' A' ' 31' ' ' VAL . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 11' ' ' GLN . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 16' ' ' LEU . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.835 ' HB2' HD23 ' A' ' 16' ' ' LEU . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG12 HD13 ' A' ' 16' ' ' LEU . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 16' ' ' LEU . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.851 HG13 ' HB2' ' A' ' 4' ' ' TYR . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 31' ' ' VAL . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.755 0.312 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.683 ' HB2' HG13 ' A' ' 31' ' ' VAL . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.46 ' HB3' HG11 ' A' ' 31' ' ' VAL . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.876 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.876 ' HB2' HD23 ' A' ' 16' ' ' LEU . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 16' ' ' LEU . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 35' ' ' ILE . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 31' ' ' VAL . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.774 ' HB2' HG13 ' A' ' 31' ' ' VAL . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 13' ' ' LYS . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 9' ' ' VAL . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 HD22 ' A' ' 30' ' ' LEU . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 16' ' ' LEU . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.781 HD22 HD13 ' A' ' 16' ' ' LEU . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 35' ' ' ILE . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.805 HD11 HG12 ' A' ' 31' ' ' VAL . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.746 ' HB3' HD21 ' A' ' 12' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.76 ' CD1' HD22 ' A' ' 30' ' ' LEU . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 33' ' ' ARG . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 16' ' ' LEU . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.76 HD22 ' CD1' ' A' ' 16' ' ' LEU . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 4' ' ' TYR . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 31' ' ' VAL . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.609 ' CD2' HD13 ' A' ' 34' ' ' LEU . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 15' ' ' LEU . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 30' ' ' LEU . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.903 ' HB3' HD11 ' A' ' 16' ' ' LEU . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 35' ' ' ILE . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' HD22 ' A' ' 21' ' ' LEU . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 4' ' ' TYR . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 31' ' ' VAL . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.707 0.289 . . . . 0.0 111.461 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.833 ' HB2' HG13 ' A' ' 31' ' ' VAL . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 27' ' ' LYS . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' A' ' 34' ' ' LEU . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.771 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 16' ' ' LEU . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 30' ' ' LEU . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 16' ' ' LEU . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.833 HG13 ' HB2' ' A' ' 4' ' ' TYR . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HD2' ' A' ' 19' ' ' ARG . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.787 HD11 HG12 ' A' ' 31' ' ' VAL . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.837 0.351 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.97 -29.36 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.55 -29.81 66.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.638 ' HB3' HD21 ' A' ' 12' ' ' LEU . 72.0 m-85 -58.28 -48.81 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -59.06 -24.52 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.99 -20.98 51.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.209 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -81.27 157.6 25.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 p -74.0 170.7 14.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.681 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.87 -42.12 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.33 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 t -65.07 -40.03 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.425 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -65.57 -47.05 77.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.252 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.8 mt -62.56 -40.14 95.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.442 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -34.99 79.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.69 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.11 -46.92 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.56 -39.04 89.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.52 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.876 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -64.28 -44.04 92.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -43.83 91.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.992 0.425 . . . . 0.0 110.147 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -68.36 -28.4 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.722 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -4.66 53.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.622 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m120 65.03 44.0 3.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.833 0.349 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.847 ' HB2' HD23 ' A' ' 16' ' ' LEU . 41.5 mt -112.76 152.92 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.01 125.56 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG12 HD13 ' A' ' 16' ' ' LEU . 16.0 m -106.07 19.12 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.504 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -26.73 63.86 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.607 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.29 166.54 53.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.64 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.07 172.06 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.734 0.302 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.8 tttt -47.96 -48.68 32.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -33.76 73.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.571 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 32' ' ' GLN . 7.2 mt-10 -69.26 -35.7 76.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 16' ' ' LEU . 68.0 mt -69.12 -36.3 77.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.388 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 35' ' ' ILE . 77.2 t -68.02 -48.71 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.982 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -64.66 -33.96 77.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -65.86 -45.64 81.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.329 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.2 mt -67.53 -35.93 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.897 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 31' ' ' VAL . 37.5 mt -66.16 -43.43 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.99 -47.0 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -61.02 -41.12 95.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.29 -41.02 86.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.48 -36.64 73.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.05 -38.97 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.21 75.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -72.61 -21.06 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.57 -34.61 3.57 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 60.62 159.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 m -83.6 107.11 15.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.85 107.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 m -136.34 149.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 t -109.95 102.45 50.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.25 154.73 71.55 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.435 2.09 . . . . 0.0 112.247 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.89 -30.1 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -28.96 67.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.632 ' HB3' HD21 ' A' ' 12' ' ' LEU . 67.0 m-85 -58.88 -47.55 84.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' HB3' HG11 ' A' ' 31' ' ' VAL . 72.3 p -59.33 -25.15 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -77.95 -21.03 51.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.249 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.14 160.73 25.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.583 HG23 ' OE1' ' A' ' 11' ' ' GLN . 16.0 p -78.34 170.86 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.627 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.654 HG12 ' HD2' ' A' ' 13' ' ' LYS . 47.2 t -61.65 -41.73 91.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.004 0.43 . . . . 0.0 110.295 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 t -65.03 -40.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.393 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' OE1' HG23 ' A' ' 8' ' ' THR . 30.8 mt-30 -65.88 -47.1 75.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.195 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.6 mt -62.8 -39.86 95.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.541 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.654 ' HD2' HG12 ' A' ' 9' ' ' VAL . 33.3 mttt -64.85 -35.88 82.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.15 -45.36 77.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.55 -38.99 92.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.895 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -64.58 -44.31 91.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.396 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -43.99 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.066 0.46 . . . . 0.0 110.118 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -68.46 -28.11 66.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.554 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -4.73 53.97 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.581 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.89 44.01 2.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.848 0.356 . . . . 0.0 110.984 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 ' CB ' HD23 ' A' ' 16' ' ' LEU . 88.8 mt -111.04 166.94 10.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.96 124.83 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 16' ' ' LEU . 11.2 m -106.08 19.17 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.69 -27.67 37.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.704 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.2 50.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.626 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.7 mt -67.97 170.24 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.313 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 31' ' ' VAL . 18.1 tttt -47.74 -44.03 27.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.48 -33.84 76.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.671 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.08 -36.6 75.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.167 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' A' ' 16' ' ' LEU . 49.1 mt -68.69 -42.97 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.818 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 27' ' ' LYS . 32.9 t -63.09 -48.11 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -64.08 -35.98 82.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -62.93 -45.64 91.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.45 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.58 -36.69 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.244 0.545 . . . . 0.0 109.915 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.718 HD11 HG12 ' A' ' 31' ' ' VAL . 40.6 mt -65.99 -43.51 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.819 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -65.94 -46.29 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -62.45 -39.22 92.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.05 -40.91 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -70.65 -37.54 73.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -67.02 -38.98 86.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -68.59 -33.09 73.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.88 -21.12 51.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.63 -149.55 19.87 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -102.4 146.8 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.84 118.26 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -104.87 -33.19 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -116.98 138.1 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -86.63 -52.7 0.43 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 48' ' ' SER . 53.5 Cg_exo -52.44 140.84 52.99 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.552 2.168 . . . . 0.0 112.177 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.948 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.784 0.326 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -31.04 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -28.78 68.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.792 ' HB2' HG13 ' A' ' 31' ' ' VAL . 66.3 m-85 -57.4 -49.09 77.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -24.15 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -77.99 -21.08 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.208 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.55 157.03 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.913 0.387 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.94 169.82 16.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.725 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.83 -41.79 89.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 110.35 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.06 -40.68 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.86 -46.8 77.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.185 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.868 ' O ' HD12 ' A' ' 16' ' ' LEU . 13.9 mt -62.96 -39.48 94.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.535 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -65.32 -36.1 83.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.643 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -67.01 -44.83 79.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.64 -39.79 94.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.711 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.61 -44.97 92.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.459 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -43.82 90.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.159 179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.37 -28.35 67.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.677 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 -4.77 53.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.566 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.76 44.09 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.848 ' HB2' HD23 ' A' ' 16' ' ' LEU . 73.0 mt -110.58 165.49 11.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 m -77.78 123.37 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.608 HG12 HD13 ' A' ' 16' ' ' LEU . 15.1 m -106.12 19.15 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.443 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.71 46.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.677 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.7 167.97 49.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.609 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mt -67.95 169.35 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 31' ' ' VAL . 26.0 tttt -47.89 -44.27 29.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.34 -35.41 80.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.14 -36.04 74.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD22 HD13 ' A' ' 16' ' ' LEU . 70.7 mt -63.95 -48.07 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.792 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.9 t -62.65 -44.98 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.72 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.16 -34.76 78.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -65.73 -45.55 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.374 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.52 -36.31 80.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.185 0.517 . . . . 0.0 109.94 179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.76 HD11 HG12 ' A' ' 31' ' ' VAL . 41.3 mt -66.01 -43.33 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.806 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -66.12 -47.95 72.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -61.66 -39.25 90.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.11 -40.94 78.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.07 -35.53 71.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.03 -38.92 86.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -68.9 -33.29 73.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -21.1 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.51 -70.35 1.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -88.83 164.46 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.8 m -169.1 143.95 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.19 137.1 46.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.2 m -113.5 -33.19 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.38 103.59 11.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -69.14 -173.86 0.7 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.402 2.068 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.888 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.828 0.346 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.07 -7.1 37.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.593 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.96 -24.53 38.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.724 0.297 . . . . 0.0 111.227 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 12' ' ' LEU . 46.7 m-85 -55.05 -48.97 72.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -23.98 62.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -20.98 51.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.246 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.89 157.6 23.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.843 0.354 . . . . 0.0 110.969 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.554 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.2 p -74.03 170.46 15.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.702 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.37 -42.76 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.477 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.3 t -65.09 -39.18 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.554 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.1 mt-30 -66.89 -46.97 73.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.263 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.2 mt -61.95 -37.52 85.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -42.48 91.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.8 -45.05 95.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.53 -45.39 94.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.473 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 12' ' ' LEU . 1.4 mt -63.29 -39.25 94.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.175 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -58.93 -44.19 91.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.127 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -68.41 -31.56 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.602 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -4.78 58.4 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.579 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 63.74 44.02 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.39 166.42 10.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.91 121.28 23.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 16' ' ' LEU . 21.2 m -106.12 19.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.436 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.2 37.38 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.567 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 168.8 46.9 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.569 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 1.4 mt -67.92 170.01 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.778 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.9 tttt -47.84 -47.61 31.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.88 -33.68 73.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.63 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.65 -36.98 76.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.056 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 16' ' ' LEU . 45.2 mt -66.45 -36.93 84.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.098 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.846 HG12 ' CD1' ' A' ' 35' ' ' ILE . 63.2 t -66.76 -47.04 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.731 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -64.1 -36.3 83.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 ttm-85 -65.7 -45.7 81.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' ' 4' ' ' TYR . 5.7 mt -67.46 -38.91 85.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.193 0.52 . . . . 0.0 109.971 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.846 ' CD1' HG12 ' A' ' 31' ' ' VAL . 49.6 mt -65.99 -41.73 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -47.08 75.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -40.92 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -71.05 -38.54 72.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.12 -38.99 86.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 m -70.06 -33.26 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -81.12 -21.11 40.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -166.94 147.92 12.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.89 132.14 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -148.09 155.97 42.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.77 148.77 43.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.38 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.6 m -104.94 127.33 28.98 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 -62.03 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.43 2.087 . . . . 0.0 112.271 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.918 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 10.4 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.08 -6.05 45.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.571 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -14.34 62.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.392 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.601 ' HB2' HG13 ' A' ' 31' ' ' VAL . 26.5 m-85 -54.82 -49.01 72.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.786 0.327 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.28 -25.91 66.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -77.94 -21.07 51.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.257 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -79.26 153.98 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.02 171.01 14.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.676 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -60.55 -41.74 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.262 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.11 -41.25 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.262 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.22 -46.64 82.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.166 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.9 -42.06 97.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.404 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -37.3 85.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.62 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.3 -44.21 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.477 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.89 -39.48 92.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.569 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 21' ' ' LEU . 82.1 mt -63.11 -45.21 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.445 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -44.09 90.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -68.41 -27.58 66.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.7 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HB3' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.34 -4.52 51.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.557 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m120 66.9 44.12 2.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.275 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD12 HD23 ' A' ' 16' ' ' LEU . 8.6 mt -114.27 155.66 25.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.892 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 127.1 30.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.9 m -106.14 19.14 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.472 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.94 17.37 57.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.84 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' O ' HD21 ' A' ' 30' ' ' LEU . . . -108.05 169.46 14.43 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.535 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.92 162.27 24.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.684 0.278 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -47.98 -48.42 32.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.53 -33.8 70.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.09 -38.64 75.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.331 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 16' ' ' LEU . 6.2 mt -61.78 -48.02 82.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.504 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.698 HG12 HD11 ' A' ' 35' ' ' ILE . 36.1 t -61.52 -46.63 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.703 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' HD12 ' A' ' 35' ' ' ILE . 14.4 mt-30 -64.02 -34.59 78.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -45.52 89.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.361 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.44 -35.95 80.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.136 0.493 . . . . 0.0 109.869 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 HG12 ' A' ' 31' ' ' VAL . 43.2 mt -66.13 -45.19 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.764 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -66.1 -48.0 72.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -61.22 -36.34 79.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.55 -41.04 80.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.783 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.71 -34.46 76.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -66.88 -39.02 87.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.986 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 m -66.85 -32.59 73.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -21.08 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -132.07 -156.51 8.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -150.96 -46.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -99.54 161.62 13.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.89 87.95 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 m -142.56 88.8 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.97 89.83 10.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.38 171.8 13.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.131 . . . . 0.0 112.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.883 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 80.3 p . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.869 0.366 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.94 -29.58 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.04 -28.65 69.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.619 ' HB3' HD21 ' A' ' 12' ' ' LEU . 64.8 m-85 -56.66 -49.03 76.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 -26.07 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.036 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -21.13 51.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.205 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.56 155.62 25.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.7 p -74.41 170.93 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.683 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 27' ' ' LYS . 41.3 t -60.91 -42.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.319 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.02 -40.68 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.514 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -66.21 -45.7 79.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.316 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 4' ' ' TYR . 15.0 mt -63.2 -37.46 87.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.594 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 16' ' ' LEU . 21.0 mttt -65.37 -41.69 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.758 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.28 -46.59 86.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.529 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 15' ' ' LEU . 9.3 mt -61.0 -38.9 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.699 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' A' ' 30' ' ' LEU . 15.2 mt -63.01 -46.13 89.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.55 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -43.46 90.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.049 0.452 . . . . 0.0 110.186 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -68.32 -27.76 66.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.575 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -4.66 52.2 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.613 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.1 m120 63.2 44.1 5.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.913 0.387 . . . . 0.0 110.979 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.95 164.35 12.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -67.54 119.19 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.12 19.08 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.494 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 14.2 57.91 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.846 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.18 173.3 17.94 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.494 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 3.7 mt -68.57 163.28 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.685 0.278 . . . . 0.0 110.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HG3' HG22 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -47.77 -52.11 19.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.182 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -33.64 69.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.606 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 4.0 mm-40 -68.46 -35.92 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.065 179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.747 ' HB3' HD11 ' A' ' 16' ' ' LEU . 11.4 mt -66.22 -46.25 77.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.804 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 4' ' ' TYR . 23.1 t -61.39 -48.27 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 4.0 pt20 -64.24 -34.13 77.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.893 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -64.84 -45.55 85.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.924 0.392 . . . . 0.0 110.421 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' CD1' ' A' ' 4' ' ' TYR . 11.0 mt -67.32 -38.38 84.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.921 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 31' ' ' VAL . 73.8 mt -66.14 -42.91 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.709 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -66.12 -45.62 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -43.12 99.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.43 -41.0 85.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.03 -41.57 70.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -67.09 -39.94 86.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.8 p -70.12 -33.55 71.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -86.29 -21.03 27.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.78 128.71 2.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -109.13 -30.22 8.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.755 0.312 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -166.03 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -112.2 126.02 54.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 141.45 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.87 107.17 15.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.69 143.26 55.67 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.377 2.052 . . . . 0.0 112.241 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.813 0.339 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.31 -13.94 22.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.542 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.13 -32.97 37.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.453 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.722 ' HB3' HD21 ' A' ' 12' ' ' LEU . 48.7 m-85 -55.17 -49.0 72.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.163 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -57.54 -22.96 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -83.57 -21.15 32.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.264 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.97 161.97 26.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.514 HG23 ' OE1' ' A' ' 11' ' ' GLN . 14.2 p -79.79 170.0 17.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -61.11 -41.42 89.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.971 0.415 . . . . 0.0 110.333 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.14 -40.31 88.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.386 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.514 ' OE1' HG23 ' A' ' 8' ' ' THR . 42.4 mt-30 -66.05 -47.96 72.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.854 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.8 mt -62.56 -38.73 91.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.495 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -64.72 -37.99 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -46.93 76.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.458 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.91 -38.94 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.606 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.908 HD13 HG12 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -64.49 -44.21 91.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.405 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.62 90.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.997 0.427 . . . . 0.0 110.105 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.31 -28.91 67.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.613 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.93 -4.46 54.64 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.601 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 62.5 44.08 7.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.933 0.397 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.861 ' HB2' HD23 ' A' ' 16' ' ' LEU . 84.9 mt -107.92 166.97 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -82.51 124.03 29.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.908 HG12 HD13 ' A' ' 16' ' ' LEU . 29.4 m -106.05 19.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.1 63.17 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.687 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.65 170.34 54.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.566 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.95 169.87 9.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.717 0.294 . . . . 0.0 110.767 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' VAL . 30.5 tttt -47.88 -47.82 31.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -33.66 71.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.69 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.16 -36.01 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.964 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 16' ' ' LEU . 39.2 mt -66.98 -38.08 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.054 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.731 HG12 ' CD1' ' A' ' 35' ' ' ILE . 58.0 t -65.2 -47.97 85.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.821 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.77 -36.38 83.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.85 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -64.0 -45.63 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 4' ' ' TYR . 9.3 mt -67.46 -36.84 81.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.186 0.517 . . . . 0.0 110.015 178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.731 ' CD1' HG12 ' A' ' 31' ' ' VAL . 46.5 mt -66.03 -42.51 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.818 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -66.09 -43.41 87.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.763 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.4 -40.59 97.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.86 -41.04 71.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -71.01 -36.52 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.01 -38.93 86.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -31.68 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -21.11 30.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -117.5 110.56 2.06 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -151.93 127.54 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -134.65 26.85 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.16 106.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.029 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.06 135.71 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.23 133.17 22.27 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.13 140.17 24.79 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.415 2.077 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.9 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.01 -30.03 13.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.711 ' CD2' HD13 ' A' ' 34' ' ' LEU . 67.1 m-85 -56.46 -48.29 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 t -59.31 -25.94 64.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -78.05 -21.07 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.208 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -78.9 155.61 28.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.744 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.6 p -74.01 170.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.697 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.7 t -60.75 -42.73 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.05 -40.15 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.396 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.7 mt-30 -65.98 -46.05 79.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.303 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.8 mt -62.7 -41.23 99.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.632 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -35.03 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -47.07 76.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.368 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.81 -39.0 90.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.438 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.45 -45.34 91.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.605 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -44.11 90.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.04 0.448 . . . . 0.0 110.261 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -68.34 -28.29 67.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.696 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -4.61 52.86 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.562 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 65.97 44.0 2.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.855 0.36 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' CB ' HD23 ' A' ' 16' ' ' LEU . 97.3 mt -113.25 156.38 23.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -72.41 127.02 31.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.549 HG12 HD13 ' A' ' 16' ' ' LEU . 17.3 m -106.06 19.09 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.403 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.17 -27.99 61.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.579 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.39 165.96 51.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -67.95 172.07 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.94 -49.31 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -33.85 74.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.559 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -36.07 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 16' ' ' LEU . 69.8 mt -66.6 -39.91 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.146 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 35' ' ' ILE . 57.4 t -63.97 -47.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.824 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.99 -35.92 82.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.782 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -45.56 89.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.31 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.711 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.7 mt -67.5 -36.9 81.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.188 0.518 . . . . 0.0 110.02 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.54 ' CD1' HG12 ' A' ' 31' ' ' VAL . 66.5 mt -66.16 -42.21 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.785 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -66.04 -42.55 89.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.68 -40.01 94.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.06 -40.89 71.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -70.94 -37.02 72.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.09 -38.94 86.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.0 m -70.1 -31.68 69.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -86.95 -21.05 26.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.021 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 152.79 44.01 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -137.08 169.92 16.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.51 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 56.62 103.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.76 171.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -170.17 -57.27 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 49.1 Cg_exo -55.65 -50.19 13.44 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.235 1.957 . . . . 0.0 112.203 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.784 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.453 ' CB ' ' CE2' ' A' ' 4' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.877 0.37 . . . . 0.0 111.192 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.32 -21.81 17.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.54 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -33.1 42.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.517 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.79 ' HB2' HG13 ' A' ' 31' ' ' VAL . 43.5 m-85 -54.91 -46.62 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.902 0.382 . . . . 0.0 111.186 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -22.76 59.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -85.15 -21.03 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.407 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.56 156.89 28.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 p -74.03 169.79 16.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.538 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.05 -41.28 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.298 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.2 t -65.03 -41.29 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.423 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.4 -46.88 78.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.077 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.56 -41.0 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -64.37 -35.11 79.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.77 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -67.03 -47.05 72.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.532 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.45 -39.15 89.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.881 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -64.44 -44.18 91.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.349 179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -43.58 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.028 0.442 . . . . 0.0 110.038 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -28.73 67.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.663 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -4.68 54.17 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.474 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 m120 65.81 44.12 2.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.881 ' HB2' HD23 ' A' ' 16' ' ' LEU . 79.4 mt -114.38 148.25 37.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.64 125.73 24.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.06 19.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.391 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.61 -26.37 56.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.695 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.01 166.28 50.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.08 168.48 11.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tttm -48.05 -42.69 29.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.27 -37.33 87.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.1 -35.98 74.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.162 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD22 HD13 ' A' ' 16' ' ' LEU . 78.7 mt -63.86 -47.0 82.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.472 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.79 HG13 ' HB2' ' A' ' 4' ' ' TYR . 29.1 t -63.28 -44.71 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.757 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -64.0 -34.75 78.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -45.53 80.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.352 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mt -67.47 -35.9 80.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.135 0.493 . . . . 0.0 109.927 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.774 HD11 HG12 ' A' ' 31' ' ' VAL . 37.9 mt -66.12 -43.21 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.781 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -43.81 86.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.28 -38.83 92.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.89 75.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -71.03 -36.14 72.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.0 -38.88 86.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 t -68.76 -33.18 73.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -75.39 -21.13 58.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.8 172.85 19.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.55 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.95 138.73 35.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.2 m -108.29 126.66 53.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -141.38 121.36 13.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 m -149.53 134.5 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m 61.53 154.33 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.44 -61.13 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.606 2.204 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.485 ' O ' HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.861 0.362 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.05 -29.64 14.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.81 -30.58 67.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.769 ' HB2' HG13 ' A' ' 31' ' ' VAL . 67.7 m-85 -56.07 -48.89 75.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' HB3' HG11 ' A' ' 31' ' ' VAL . 82.2 p -58.9 -23.73 61.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -77.94 -21.07 51.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.218 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.23 158.26 23.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.601 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.3 p -73.97 170.78 14.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.723 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.69 -41.76 91.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.315 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.09 -39.82 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.418 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.601 ' OE1' HG23 ' A' ' 8' ' ' THR . 46.5 mt-30 -66.79 -47.41 72.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.186 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 16' ' ' LEU . 4.4 mt -62.82 -37.27 86.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.523 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -66.95 -36.82 83.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.753 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.2 -47.57 73.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.74 -38.92 89.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.515 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG12 ' A' ' 23' ' ' VAL . 1.9 mt -64.59 -44.15 91.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.498 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -43.15 90.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.09 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -68.28 -29.43 68.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.461 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -4.55 55.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.49 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 63.55 44.1 5.44 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.773 ' HB2' HD23 ' A' ' 16' ' ' LEU . 58.4 mt -107.99 166.99 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -78.48 120.88 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.845 HG12 HD13 ' A' ' 16' ' ' LEU . 12.0 m -106.09 19.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.393 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.78 -29.81 34.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.592 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.06 171.1 43.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -68.0 168.79 11.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.759 0.314 . . . . 0.0 110.782 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 45.0 tttt -47.83 -45.81 30.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.07 -33.94 74.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -35.98 74.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.188 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.829 ' HB3' HD11 ' A' ' 16' ' ' LEU . 44.3 mt -65.6 -45.43 83.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.622 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.769 HG13 ' HB2' ' A' ' 4' ' ' TYR . 39.5 t -63.63 -45.98 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.778 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -63.45 -34.48 77.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -65.66 -45.54 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.537 HD13 ' CD2' ' A' ' 4' ' ' TYR . 6.2 mt -67.51 -35.87 79.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.074 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.485 HD11 ' O ' ' A' ' 1' ' ' SER . 68.4 mt -66.09 -42.65 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.753 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -66.06 -45.69 80.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' OD1' HD21 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -64.24 -36.52 84.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -40.96 72.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.02 -36.86 72.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -67.03 -38.94 86.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -28.96 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -68.95 -21.11 64.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.72 115.11 3.95 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.83 139.77 35.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.36 -38.96 3.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 64.23 -78.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 t 67.39 103.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.404 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -73.47 -60.88 1.55 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 58.5 Cg_endo -71.86 150.94 56.37 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.508 2.139 . . . . 0.0 112.373 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.826 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.19 -13.49 23.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.5 -31.17 44.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.246 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.779 ' HB2' HG13 ' A' ' 31' ' ' VAL . 37.5 m-85 -57.66 -42.2 83.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.039 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -58.62 -26.0 63.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.6 m -81.92 -21.04 37.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.241 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mt -82.55 150.99 26.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.954 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -74.01 171.0 14.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.657 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 t -60.49 -41.33 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.223 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.9 t -65.16 -40.92 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.294 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.9 -47.76 76.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.108 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.7 mt -59.9 -41.25 91.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.437 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -61.53 -40.9 96.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.625 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -63.47 -40.89 98.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.216 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.03 -46.62 88.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HG12 ' A' ' 23' ' ' VAL . 94.0 mt -62.45 -38.25 89.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.193 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -58.94 -43.99 91.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.186 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -32.45 72.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.516 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.84 -4.67 58.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.566 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m120 63.6 43.94 5.48 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' A' ' 33' ' ' ARG . 92.8 mt -108.23 161.69 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -78.01 132.41 37.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.642 HG12 HD12 ' A' ' 16' ' ' LEU . 17.4 m -106.04 19.06 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.388 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.5 -26.38 71.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.665 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.16 165.06 54.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.98 170.06 8.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.705 0.288 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -48.72 -47.04 41.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.76 -33.73 70.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.626 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.99 -35.98 74.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.83 -45.46 86.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.377 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.779 HG13 ' HB2' ' A' ' 4' ' ' TYR . 40.2 t -62.56 -48.17 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.537 ' HA ' HD12 ' A' ' 35' ' ' ILE . 1.2 mt-30 -64.22 -35.88 82.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.696 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HG2' HD13 ' A' ' 21' ' ' LEU . 11.3 ttm180 -61.75 -45.51 93.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.369 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.9 mt -67.38 -36.0 80.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.835 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 31' ' ' VAL . 37.5 mt -65.95 -43.8 92.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.787 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -43.92 86.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.94 -44.86 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.67 -40.92 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -33.21 71.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.92 -38.91 89.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 m -69.1 -31.58 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -82.81 -21.08 34.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 129.59 11.82 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.558 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.6 138.0 54.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.8 m -109.68 35.76 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -111.97 150.48 30.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.05 135.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.0 p -165.73 155.1 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.53 115.49 3.92 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.153 . . . . 0.0 112.254 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.877 0.37 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.41 -23.19 16.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -53.0 -35.36 59.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.458 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.787 ' HB2' HG13 ' A' ' 31' ' ' VAL . 52.3 m-85 -55.04 -43.52 73.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -25.53 66.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -81.39 -21.09 39.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.332 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.48 155.08 28.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.941 0.401 . . . . 0.0 110.998 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.9 169.84 16.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.57 -41.5 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.288 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 t -65.13 -40.19 88.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -65.25 -47.97 74.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.102 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 16' ' ' LEU . 2.8 mt -60.84 -41.62 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.475 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -39.66 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.603 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.17 -39.39 92.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.283 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.92 -46.95 79.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.502 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.912 HD13 HG12 ' A' ' 23' ' ' VAL . 1.5 mt -62.45 -41.77 98.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.122 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -58.75 -44.74 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.132 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -28.72 67.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.524 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -4.79 56.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.506 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 67.78 44.06 1.66 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' HD23 ' A' ' 16' ' ' LEU . 7.1 mt -116.6 146.99 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 t -66.42 130.54 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.912 HG12 HD13 ' A' ' 16' ' ' LEU . 16.1 m -105.96 19.0 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.512 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.09 -26.18 74.3 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.688 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.97 163.85 52.04 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.602 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.89 171.43 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.519 ' O ' HG23 ' A' ' 31' ' ' VAL . 6.5 tmtt? -47.95 -46.31 32.11 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.225 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.44 -34.11 77.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.61 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -35.93 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.266 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 16' ' ' LEU . 41.4 mt -65.58 -48.0 73.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.556 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.787 HG13 ' HB2' ' A' ' 4' ' ' TYR . 35.6 t -61.45 -47.99 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.598 ' HA ' HD12 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -64.21 -34.81 78.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -62.1 -45.4 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.299 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.25 -35.87 80.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.202 0.525 . . . . 0.0 109.761 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 32' ' ' GLN . 44.7 mt -65.39 -45.43 93.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.03 -42.99 88.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -43.13 99.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -40.89 95.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.09 -31.97 72.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -38.89 86.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 p -62.98 -33.12 74.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -82.17 -21.13 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -135.81 93.9 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.01 177.62 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 p -101.6 136.98 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.57 -46.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.71 -32.71 41.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 m -127.33 154.17 77.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.64 -30.23 18.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.631 2.22 . . . . 0.0 112.257 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.88 -179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.817 0.342 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.96 -30.31 13.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.2 -29.49 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.72 ' CE2' HD22 ' A' ' 34' ' ' LEU . 69.7 m-85 -57.08 -49.03 77.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -59.0 -24.86 63.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -77.93 -21.11 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.29 156.23 26.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.909 0.385 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 p -73.89 170.92 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.694 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.31 -42.54 93.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.327 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 -40.1 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -66.32 -46.29 77.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.275 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.887 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.0 mt -61.24 -38.53 86.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.45 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -66.16 -39.57 89.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -61.99 -46.45 89.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.4 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 15' ' ' LEU . 9.4 mt -60.02 -45.94 91.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.437 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.887 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.54 -39.12 92.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.161 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.7 m -58.87 -43.68 90.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.133 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -31.97 71.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.645 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -4.64 58.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.557 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.32 44.08 7.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.905 0.383 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.825 ' HB2' HD23 ' A' ' 16' ' ' LEU . 74.9 mt -106.77 167.05 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.48 124.28 28.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 16' ' ' LEU . 15.9 m -106.04 19.17 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.429 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.41 -30.13 57.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.626 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.11 167.59 48.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.605 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.0 171.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.8 tttm -48.14 -47.81 34.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.166 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.77 -33.91 73.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.621 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.0 -35.94 77.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.929 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD22 HD13 ' A' ' 16' ' ' LEU . 55.2 mt -67.25 -38.07 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.095 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 35' ' ' ILE . 56.8 t -65.22 -48.02 85.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.781 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.11 -36.8 84.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -64.03 -45.6 88.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.393 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD22 ' CE2' ' A' ' 4' ' ' TYR . 3.4 mt -67.55 -36.6 81.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 110.004 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 31' ' ' VAL . 40.6 mt -66.14 -42.32 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.802 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -65.94 -43.47 87.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -41.28 98.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.97 -40.93 71.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.78 -39.73 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.04 -38.97 86.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 m -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 7.15 35.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.414 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.06 173.85 55.04 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.18 163.42 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.85 161.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -124.42 173.86 8.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.1 m -119.97 95.88 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' CB ' ' HD3' ' A' ' 49' ' ' PRO . 0.4 OUTLIER -93.33 -54.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' CB ' ' A' ' 48' ' ' SER . 52.2 Cg_exo -54.57 166.32 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.381 2.054 . . . . 0.0 112.272 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.563 ' O ' HD11 ' A' ' 35' ' ' ILE . 72.9 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.806 0.336 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -30.81 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.106 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.78 -29.29 66.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.791 ' HB2' HG13 ' A' ' 31' ' ' VAL . 57.2 m-85 -56.33 -48.55 76.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.099 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -26.08 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -77.94 -21.08 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.207 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -79.64 155.97 27.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' OE1' ' A' ' 11' ' ' GLN . 8.0 p -74.0 169.57 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.611 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.484 HG12 ' HD2' ' A' ' 13' ' ' LYS . 42.7 t -60.49 -42.17 90.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.327 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.7 t -65.05 -40.03 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.429 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' A' ' 8' ' ' THR . 38.0 mt-30 -66.18 -46.87 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.859 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.2 mt -62.0 -38.79 89.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD2' HG12 ' A' ' 9' ' ' VAL . 2.6 mttm -63.97 -42.39 97.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.692 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.78 -45.96 90.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.524 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.859 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -63.07 -39.5 94.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.178 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.27 91.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.167 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -68.41 -31.16 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.6 58.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m120 64.84 43.94 3.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.824 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.6 mt -108.53 161.39 15.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t -71.67 123.17 21.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.08 19.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.391 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.78 -27.31 35.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.665 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.02 167.28 48.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.85 167.66 13.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.752 0.311 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.0 tttt -48.02 -41.61 26.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.206 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.09 -35.29 80.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.77 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.252 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' ' 16' ' ' LEU . 59.1 mt -65.71 -47.8 74.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.597 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG13 ' HB2' ' A' ' 4' ' ' TYR . 36.2 t -61.89 -45.8 97.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -63.09 -34.35 77.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.747 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -66.01 -45.46 81.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.377 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.0 mt -67.43 -37.68 83.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.965 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 1' ' ' SER . 68.9 mt -66.08 -41.77 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.763 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -66.07 -47.12 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -63.41 -37.32 86.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.89 71.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.1 -36.85 72.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.91 -39.02 87.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 m -69.71 -33.95 73.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -84.3 -21.09 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -140.82 -134.7 3.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -155.82 159.19 39.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -79.12 161.83 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.62 31.1 3.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -103.88 156.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -101.6 118.17 60.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 -45.16 1.56 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.412 2.075 . . . . 0.0 112.247 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.09 -10.24 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.474 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -23.61 23.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.697 0.284 . . . . 0.0 111.248 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.851 ' HB2' HG13 ' A' ' 31' ' ' VAL . 36.3 m-85 -55.03 -48.59 73.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.31 -25.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -77.93 -21.12 51.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.19 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -81.25 159.79 24.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.501 HG23 ' OE1' ' A' ' 11' ' ' GLN . 17.2 p -76.47 171.0 15.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.31 -43.51 96.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.391 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -65.1 -39.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.416 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' OE1' HG23 ' A' ' 8' ' ' THR . 27.0 mt-30 -66.19 -45.9 79.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.196 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.762 ' O ' HD12 ' A' ' 16' ' ' LEU . 9.0 mt -61.57 -40.07 93.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.667 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -44.83 95.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 15' ' ' LEU . 10.0 mt -60.73 -45.78 92.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.467 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.835 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.64 -39.19 93.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.169 179.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -58.79 -44.09 90.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.173 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -31.92 71.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.596 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.59 58.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.54 44.07 5.48 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.835 ' HB2' HD23 ' A' ' 16' ' ' LEU . 87.2 mt -109.66 154.13 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.43 121.52 15.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG12 HD13 ' A' ' 16' ' ' LEU . 10.8 m -106.06 19.18 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.421 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.24 2.76 83.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.933 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.97 170.0 22.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.532 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.9 168.69 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 31' ' ' VAL . 17.3 tttt -49.22 -41.4 37.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -66.08 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.29 -35.99 74.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.282 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.834 HD22 HD13 ' A' ' 16' ' ' LEU . 56.1 mt -65.54 -48.0 73.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.695 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.851 HG13 ' HB2' ' A' ' 4' ' ' TYR . 31.3 t -62.52 -44.47 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.08 -35.37 80.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.733 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -65.0 -45.62 84.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.335 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 4' ' ' TYR . 6.9 mt -67.44 -37.25 82.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.168 0.509 . . . . 0.0 109.883 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 31' ' ' VAL . 41.1 mt -66.2 -44.19 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.662 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -66.04 -44.27 85.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -61.48 -41.84 97.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -42.64 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -71.05 -34.58 71.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -67.07 -38.9 86.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.3 m -69.1 -40.79 78.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.994 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -21.0 31.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.94 -171.06 22.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.62 -28.89 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m 63.93 124.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -99.64 -177.13 3.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.78 -38.43 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 123.33 0.23 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.88 143.65 59.13 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.364 2.043 . . . . 0.0 112.276 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.962 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.791 0.329 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.58 -30.06 14.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -59.97 -29.7 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.683 ' HB2' HG13 ' A' ' 31' ' ' VAL . 72.7 m-85 -57.84 -47.25 83.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.46 ' HB3' HG11 ' A' ' 31' ' ' VAL . 76.3 p -60.84 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -77.96 -21.08 51.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.26 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mt -79.04 158.79 27.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -78.98 171.03 15.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.541 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.73 -42.01 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.253 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 t -65.17 -41.3 91.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.309 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -65.05 -46.39 81.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.301 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 16' ' ' LEU . 12.4 mt -62.52 -40.79 97.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.51 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -63.97 -36.31 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.22 -47.13 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.534 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.35 -39.01 89.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.876 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -64.65 -43.86 92.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -43.32 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.061 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -68.28 -29.53 68.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.54 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -91.09 -4.71 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 63.83 44.05 5.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.885 0.374 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.876 ' HB2' HD23 ' A' ' 16' ' ' LEU . 89.5 mt -110.29 167.0 10.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.97 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.34 124.09 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.02 19.11 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.434 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.35 -27.97 50.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.687 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 165.75 50.65 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.649 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.07 170.98 7.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.722 0.296 . . . . 0.0 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 31' ' ' VAL . 19.2 tttt -47.99 -44.53 30.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.115 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.19 -34.06 77.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 -35.71 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 HD13 ' A' ' 16' ' ' LEU . 51.3 mt -69.08 -45.29 70.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 35' ' ' ILE . 36.8 t -63.36 -48.49 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.001 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -34.0 77.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.741 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.91 -45.67 81.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.859 0.361 . . . . 0.0 110.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.37 -35.96 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.217 0.532 . . . . 0.0 110.054 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 31' ' ' VAL . 40.8 mt -65.8 -42.21 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.802 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -66.01 -46.06 79.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -61.87 -41.01 97.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -40.94 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -70.66 -34.99 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.94 -39.98 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.28 71.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -70.32 -21.08 62.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.214 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 159.13 99.8 0.16 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.585 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -178.9 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -116.97 164.01 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.46 91.77 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.5 -39.97 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.3 m -148.11 146.03 22.35 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.63 155.29 49.77 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.59 2.194 . . . . 0.0 112.3 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 4' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.876 0.369 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.26 -20.0 18.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.474 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.0 -28.0 15.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.441 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.774 ' HB2' HG13 ' A' ' 31' ' ' VAL . 34.3 m-85 -55.25 -48.76 73.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.068 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -57.15 -24.0 51.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -81.84 -21.17 37.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.214 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.33 156.36 26.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.6 p -73.97 169.58 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.578 HG12 ' HE3' ' A' ' 13' ' ' LYS . 42.0 t -61.19 -41.19 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.367 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.0 t -65.12 -40.33 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.427 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -66.63 -47.34 72.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.182 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 4' ' ' TYR . 2.1 mt -62.58 -37.73 87.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.577 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HE3' HG12 ' A' ' 9' ' ' VAL . 7.5 mtmt -67.06 -37.14 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.83 73.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.608 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 15' ' ' LEU . 12.2 mt -62.44 -39.03 92.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.781 HD13 HD22 ' A' ' 30' ' ' LEU . 16.4 mt -65.14 -43.95 90.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -43.0 90.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -29.87 68.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.502 179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -4.55 56.74 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.523 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m120 63.7 44.05 5.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.798 0.332 . . . . 0.0 110.951 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 16' ' ' LEU . 85.5 mt -107.99 167.05 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -73.12 120.56 18.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.08 19.15 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.43 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.8 -27.2 24.8 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.634 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.04 166.25 50.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.623 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.95 169.69 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.716 ' O ' HG23 ' A' ' 31' ' ' VAL . 37.6 tttt -47.91 -41.65 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -66.1 -37.34 85.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.687 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.17 -36.05 74.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.267 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.781 HD22 HD13 ' A' ' 16' ' ' LEU . 79.6 mt -65.53 -46.28 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.592 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.805 HG12 HD11 ' A' ' 35' ' ' ILE . 33.7 t -62.37 -46.36 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.711 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.47 -35.21 78.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.699 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -45.81 85.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.275 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.41 -36.49 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.198 0.523 . . . . 0.0 109.97 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.805 HD11 HG12 ' A' ' 31' ' ' VAL . 39.9 mt -66.11 -42.85 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.874 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.03 -47.97 72.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -61.35 -39.44 90.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.97 -40.87 78.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -36.2 72.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.96 -38.97 87.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -68.29 -33.1 73.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -75.63 -21.02 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -90.16 -59.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -86.94 148.77 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 127.14 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -145.03 142.8 30.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 t -99.77 142.24 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.082 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -176.48 -62.29 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.975 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 48' ' ' SER . 50.9 Cg_endo -69.17 131.2 21.55 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.367 2.044 . . . . 0.0 112.34 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.408 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.6 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 -5.85 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.5 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.95 -22.11 24.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.71 0.29 . . . . 0.0 111.336 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.746 ' HB3' HD21 ' A' ' 12' ' ' LEU . 27.5 m-85 -54.81 -48.19 73.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.756 0.312 . . . . 0.0 111.055 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -58.76 -24.25 61.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.044 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -21.08 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.274 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -85.39 157.97 20.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -75.74 170.31 16.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.24 -41.51 89.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.945 0.402 . . . . 0.0 110.309 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.1 -41.52 92.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.331 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -64.85 -47.58 77.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.203 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 4' ' ' TYR . 13.4 mt -61.56 -40.17 93.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.382 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -40.07 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.548 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -43.95 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.274 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.59 -40.12 86.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.76 ' CD1' HD22 ' A' ' 30' ' ' LEU . 48.0 mt -64.42 -42.59 95.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -42.85 89.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.084 0.469 . . . . 0.0 110.019 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -68.31 -31.21 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.411 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -4.56 58.3 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.43 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 m120 63.44 44.07 5.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.886 0.374 . . . . 0.0 111.019 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 33' ' ' ARG . 47.2 mt -112.6 148.48 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 t -59.22 123.75 17.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 16' ' ' LEU . 27.0 m -106.04 19.13 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.499 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.54 12.33 67.25 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.831 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.07 171.55 16.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.3 mt -68.03 162.02 25.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.749 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.09 -41.68 26.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.6 -33.95 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.06 -35.99 74.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.317 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.76 HD22 ' CD1' ' A' ' 16' ' ' LEU . 14.8 mt -65.52 -47.55 75.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 4' ' ' TYR . 21.3 t -61.83 -47.9 91.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -64.14 -34.13 77.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.827 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HG2' HD13 ' A' ' 21' ' ' LEU . 1.6 ttm180 -65.45 -45.56 83.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.409 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 4' ' ' TYR . 10.3 mt -67.5 -36.03 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.854 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD11 HG12 ' A' ' 31' ' ' VAL . 54.9 mt -66.11 -43.19 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.751 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -47.99 72.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -34.91 78.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -40.83 72.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -62.01 -37.37 84.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.09 -41.59 86.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.7 p -70.04 -33.6 72.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.6 -21.04 32.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.07 45.59 1.93 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.01 -36.02 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.8 t -84.47 169.42 14.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.5 31.04 20.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.6 m -105.77 -31.18 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.3 163.02 43.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.99 124.7 11.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.56 2.173 . . . . 0.0 112.306 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.867 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.775 0.321 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 -29.34 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.64 -30.35 68.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.609 ' CD2' HD13 ' A' ' 34' ' ' LEU . 63.7 m-85 -56.94 -48.99 77.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -58.16 -26.08 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.99 -21.07 51.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.183 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.9 156.23 27.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 p -74.02 170.08 16.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.637 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.87 -41.47 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.307 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 -40.6 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.495 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.59 -46.19 76.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.37 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 16' ' ' LEU . 15.8 mt -62.75 -36.31 82.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.547 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 23' ' ' VAL . 1.1 ttmt -65.91 -42.97 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -45.24 94.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.344 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 15' ' ' LEU . 9.5 mt -60.24 -44.84 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.416 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 30' ' ' LEU . 2.2 mt -63.29 -38.76 92.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.176 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -58.86 -44.62 91.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.23 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -68.33 -32.08 71.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.728 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.37 -4.69 58.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.591 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.85 44.07 5.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD23 ' A' ' 16' ' ' LEU . 83.5 mt -106.27 165.43 11.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.16 128.68 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 16' ' ' LEU . 30.0 m -106.04 19.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.408 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.85 -26.98 63.52 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.606 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.37 169.81 54.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.553 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 mt -68.03 168.36 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.679 0.276 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.0 ttpt -48.01 -47.18 33.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.49 -33.69 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.768 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.85 -35.99 77.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.951 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.903 ' HB3' HD11 ' A' ' 16' ' ' LEU . 24.7 mt -67.28 -37.81 84.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.149 179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.789 HG12 ' CD1' ' A' ' 35' ' ' ILE . 60.6 t -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.762 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.88 -36.75 84.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.788 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.433 ' HG2' HD22 ' A' ' 21' ' ' LEU . 6.4 ttm180 -64.4 -45.59 86.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.373 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.609 HD13 ' CD2' ' A' ' 4' ' ' TYR . 3.7 mt -67.51 -36.64 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.133 0.492 . . . . 0.0 109.931 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.789 ' CD1' HG12 ' A' ' 31' ' ' VAL . 41.4 mt -66.17 -42.68 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.771 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -66.01 -41.9 90.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.81 -40.19 94.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -41.01 71.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.98 -36.43 72.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.03 -38.98 86.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 p -68.16 -32.77 73.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.23 -21.14 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.32 -81.04 1.48 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.6 159.14 28.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.761 0.315 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -91.7 118.71 30.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -163.65 111.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.8 p -89.93 131.17 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.51 97.81 41.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -49.74 -55.99 3.58 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.547 2.165 . . . . 0.0 112.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.817 0.342 . . . . 0.0 111.225 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.28 -21.02 18.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.562 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -28.09 17.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.461 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.833 ' HB2' HG13 ' A' ' 31' ' ' VAL . 31.2 m-85 -54.94 -48.31 73.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.204 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' OG ' HG11 ' A' ' 31' ' ' VAL . 1.6 m -58.04 -24.1 57.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -82.59 -21.14 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.313 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mt -79.62 157.0 27.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 p -74.66 170.61 15.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' A' ' 27' ' ' LYS . 40.8 t -60.85 -42.54 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.363 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.08 -39.83 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.63 -47.03 77.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 16' ' ' LEU . 7.3 mt -61.86 -41.03 97.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.453 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.712 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.11 -47.5 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.35 -39.05 89.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.6 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.523 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.21 91.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.25 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -68.4 -28.33 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.639 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' A' ' 34' ' ' LEU . 1.9 mtt-85 -92.62 -4.58 53.13 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.528 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.81 44.03 6.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.909 0.385 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.771 ' CB ' HD23 ' A' ' 16' ' ' LEU . 86.9 mt -108.32 166.99 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 121.87 23.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 HD13 ' A' ' 16' ' ' LEU . 16.2 m -106.13 19.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.71 -27.39 46.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.544 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 167.14 51.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.05 171.83 6.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.771 0.319 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 30' ' ' LEU . 25.3 tttt -48.94 -44.48 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.53 -35.26 79.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.598 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.16 -35.98 74.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.175 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 16' ' ' LEU . 59.5 mt -64.09 -47.84 78.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.59 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.833 HG13 ' HB2' ' A' ' 4' ' ' TYR . 32.1 t -62.71 -44.74 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -64.0 -35.29 80.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.715 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -65.0 -45.73 84.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HD2' ' A' ' 19' ' ' ARG . 4.8 mt -67.53 -36.69 81.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.191 0.52 . . . . 0.0 109.992 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.787 HD11 HG12 ' A' ' 31' ' ' VAL . 39.6 mt -66.05 -42.61 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.773 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -66.01 -45.99 79.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -62.94 -39.77 95.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.99 -40.92 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -71.01 -37.31 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -66.99 -39.02 87.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -35.67 80.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -90.19 -21.1 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.229 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.68 155.54 23.31 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.625 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -141.99 136.61 30.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.2 t -107.3 -33.1 7.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.807 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -105.39 142.29 35.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -155.0 132.78 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m 62.75 147.46 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.84 162.22 41.67 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.601 2.2 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.915 179.978 . . . . . . . . 0 0 . 1 stop_ save_