data_2n50_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 2n50 _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 ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 75.33 111.152 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.192 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.3 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.911 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 62.24 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.141 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.151 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.42 111.155 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 60.24 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.123 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.45 111.098 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.05 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.03 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.22 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.103 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.52 110.928 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 72.53 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 75.5 111.153 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 60.02 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.1 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.52 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.164 179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 64.15 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.33 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 74.25 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.22 111.163 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 75.13 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.55 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.18 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.04 111.099 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.24 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.54 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.121 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.865 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.22 111.155 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.53 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.42 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.917 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.138 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 70.44 111.121 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.04 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.13 111.165 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.01 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.958 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.893 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.847 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.4 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 71.12 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.53 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.885 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.899 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.142 179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 73.21 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.157 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.4 111.118 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 71.33 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.33 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.13 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.156 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.919 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 75.41 111.181 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.8 0.334 . . . . 71.34 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.55 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.4 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.14 111.112 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.14 111.141 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.03 111.122 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 74.54 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.853 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.55 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.09 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 71.31 111.129 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.05 110.9 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.863 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 75.05 111.12 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.22 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.907 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.072 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.41 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 63.22 111.15 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.15 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 72.21 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.905 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.85 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.845 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.2 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 75.03 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.13 111.101 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 53.23 110.849 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.852 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.095 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 65.53 110.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.2 111.158 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.16 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 64.42 111.069 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 75.24 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.03 111.15 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 73.13 111.155 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 64.33 111.155 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 71.53 111.133 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.127 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 70.35 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 75.4 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.44 111.094 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.41 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.129 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.101 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.156 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.916 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.878 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.117 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.5 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.01 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 74.54 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 73.32 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.54 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.15 111.094 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 71.45 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.1 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.34 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.01 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.22 111.128 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.83 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 72.02 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.055 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 70.23 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.144 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.51 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.35 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.12 111.094 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.153 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.864 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.35 111.085 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 65.02 111.138 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 53.3 111.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.03 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.156 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 72.34 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.9 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 70.2 111.107 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.11 111.146 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.173 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 63.22 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.42 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 70.21 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.111 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.35 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.096 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.15 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.2 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.906 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.858 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.13 111.139 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 43.11 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.062 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 75.14 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.32 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.2 111.16 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.55 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.33 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.41 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.16 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.12 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.54 111.091 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.922 0.392 . . . . 73.11 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.02 111.19 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 73.25 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 73.11 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.03 111.129 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.111 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 73.41 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.51 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.127 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.132 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 62.53 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.51 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 75.01 111.141 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 63.44 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.871 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.072 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.34 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.061 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.53 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.141 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.13 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 61.35 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.863 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.141 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.55 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.126 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.45 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.4 110.829 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 75.15 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.55 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 74.02 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 74.41 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.112 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.31 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.45 111.09 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.906 0.384 . . . . 53.55 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.163 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.24 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.13 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 65.14 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.23 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 72.15 111.143 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.769 0.319 . . . . 74.55 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.151 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.104 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 71.3 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.094 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 73.42 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.143 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.957 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.925 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.155 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 71.51 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.047 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 74.3 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.135 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.02 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.44 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.849 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.22 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.24 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 75.32 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.03 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.846 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.087 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 75.31 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.147 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.35 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.4 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.23 111.094 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.927 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.31 111.19 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.51 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.778 0.323 . . . . 63.2 111.115 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.41 111.169 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.54 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.156 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.12 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.851 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.03 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 65.34 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 71.3 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.02 111.149 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.12 111.133 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.14 111.135 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.945 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.25 110.879 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 75.53 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.02 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.45 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 62.1 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.158 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.13 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.932 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 54.22 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.24 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 72.22 111.166 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.123 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.83 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.01 111.084 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.948 0.404 . . . . 74.32 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.51 111.149 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.117 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 63.54 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.11 111.101 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.42 111.146 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.917 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.155 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 74.25 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.53 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.088 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.148 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.42 111.126 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.33 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.144 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.165 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.44 111.1 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.963 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.869 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.129 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.921 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.075 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 74.04 111.106 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.914 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.3 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.44 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 73.43 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.114 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.4 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.065 179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 72.15 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.174 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 74.01 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 73.4 111.123 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.12 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.939 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.22 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.01 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 74.55 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 72.21 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.864 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.113 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 74.51 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 74.45 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.2 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.21 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.104 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.54 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 75.11 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.171 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.42 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.097 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.123 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.21 111.097 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.08 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.42 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.4 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.42 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.108 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.01 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.105 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.02 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.945 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.854 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.22 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.1 111.147 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.24 111.124 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.83 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.857 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.086 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.908 0.385 . . . . 74.52 110.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.21 111.123 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 73.04 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.2 111.088 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 72.14 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.094 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.929 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.079 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.04 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.319 . . . . 53.22 111.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.54 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 71.53 111.1 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.51 110.874 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.2 111.115 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.129 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 73.44 111.145 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.23 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.908 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.159 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.12 111.071 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 51.23 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.05 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.135 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.51 111.14 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.892 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.01 111.133 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 74.42 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.04 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.1 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.14 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.42 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.41 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.079 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.86 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.55 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.143 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 71.43 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.11 111.19 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 72.02 111.163 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 52.54 111.105 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.53 111.099 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.912 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.131 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.134 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 71.43 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 75.24 111.114 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.115 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.44 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.146 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.842 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.911 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.53 111.163 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.073 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 54.43 111.103 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.165 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 72.24 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.53 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.859 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.2 111.127 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.888 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.069 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 75.44 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 73.52 111.156 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.55 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.4 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 71.12 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.03 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.915 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.823 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 44.21 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.43 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.33 111.132 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.2 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 63.24 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 63.12 111.126 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.995 0.426 . . . . 75.32 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.135 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.44 111.121 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.21 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.1 111.076 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.144 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.886 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 71.41 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.141 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 55.15 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.31 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.902 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.34 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 62.1 111.136 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 74.24 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.142 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.135 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.23 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.25 111.116 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 65.13 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.099 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.52 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.52 111.164 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.14 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.089 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.923 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.894 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.52 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.921 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.2 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.2 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.162 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.52 110.897 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.1 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 72.54 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.21 111.125 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.51 111.142 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.125 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 74.51 111.152 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.35 111.118 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 74.11 111.157 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 71.33 111.137 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.87 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.31 111.092 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.43 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.092 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 70.11 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 74.01 110.859 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.32 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.55 111.066 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.15 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.2 111.166 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.15 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.912 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.141 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.02 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.34 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.45 111.103 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.45 110.832 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 71.12 111.1 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.02 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 63.03 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 72.4 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 74.31 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.12 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 62.53 110.877 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.21 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.33 111.08 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.939 0.4 . . . . 72.21 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.145 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 63.52 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.44 111.105 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 54.22 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.921 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.45 111.081 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 71.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 64.15 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.4 111.132 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.41 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 72.31 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.154 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 74.11 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.03 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.104 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.52 111.166 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.112 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 75.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.41 111.136 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 53.21 111.126 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.893 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.911 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.23 111.118 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.918 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.085 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.14 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.41 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.03 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.43 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.34 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 74.04 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.44 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 54.32 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.095 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.959 0.409 . . . . 64.1 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.11 111.111 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.114 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.53 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.54 111.07 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.54 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 72.4 111.127 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.126 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.788 0.327 . . . . 70.54 111.14 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.141 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.13 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.32 111.123 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.102 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.099 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.19 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.108 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.932 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.905 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.178 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 73.5 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.25 111.104 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 71.14 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.35 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.04 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.4 111.141 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.52 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 75.54 110.904 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 54.05 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.42 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.53 111.155 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.086 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.93 0.395 . . . . 75.34 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 111.16 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.145 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 71.41 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 73.21 111.093 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.41 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.918 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.147 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.43 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.333 . . . . 72.45 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 65.24 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.16 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.087 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.03 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 63.02 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.867 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.44 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.23 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.51 111.135 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.132 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.87 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.867 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.155 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.947 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 70.25 111.111 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.12 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.33 111.133 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.945 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.895 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.14 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.23 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.53 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 74.24 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.145 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.849 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.1 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.122 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 73.31 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.137 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.33 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 72.52 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 72.34 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 74.33 111.146 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 75.31 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 72.15 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.721 0.296 . . . . 74.22 111.174 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 75.42 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.137 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.01 110.864 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 74.54 111.128 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.13 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.5 111.094 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.44 111.143 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 71.04 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.904 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 73.44 111.097 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.53 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.129 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.151 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 45.42 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.913 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.957 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.898 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.119 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 74.23 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.4 111.117 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.13 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.3 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.41 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.904 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.887 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.1 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 65.14 110.895 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 62.2 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.24 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.085 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.865 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.15 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 62.13 111.142 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.926 0.393 . . . . 74.24 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.124 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.1 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 74.33 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.156 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.45 111.146 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.132 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 74.05 111.15 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.1 111.146 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.122 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.45 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.1 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.55 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.098 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.846 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.4 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.135 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.097 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 74.53 111.149 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.18 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.05 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.2 111.06 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.52 111.133 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.099 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.943 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.41 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.86 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.41 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.15 111.146 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 72.03 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.45 111.141 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 74.3 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 74.11 111.112 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.12 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.02 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.32 111.08 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.163 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.24 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.01 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.14 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 74.41 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.861 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.11 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.134 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.865 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.134 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.092 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.9 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.899 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.45 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.54 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.13 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 75.33 111.102 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.04 111.155 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.938 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.911 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 64.43 110.845 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.54 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 73.31 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.123 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.877 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 65.14 111.132 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.949 0.404 . . . . 74.51 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.168 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 75.13 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.24 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.892 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 72.31 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.22 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.849 0.357 . . . . 64.33 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -88.94 173.56 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 75.33 111.152 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 75.13 111.192 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.34 111.112 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.3 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.911 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 62.24 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.42 111.141 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 70.13 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.151 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.42 111.155 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 60.24 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.123 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.45 111.098 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.05 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.03 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.22 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 72.44 111.129 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.103 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.52 110.928 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 72.53 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 75.5 111.153 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 60.02 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.1 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.52 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.35 -18.25 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -23.21 26.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.851 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.95 -43.73 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.945 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -74.21 61.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.13 111.144 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -122.06 15.05 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.15 110.936 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.33 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 74.25 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 75.34 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.22 111.163 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 75.43 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 65.33 110.824 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -89.06 172.21 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.18 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.55 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.18 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.04 111.099 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.24 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.54 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.121 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.865 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.22 111.155 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.25 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 73.35 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.53 110.885 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.42 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.917 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.138 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 70.44 111.121 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.04 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.13 111.165 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.01 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 64.03 110.958 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.893 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.847 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.4 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 71.12 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.53 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.885 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.899 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.52 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.142 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.93 -31.37 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.04 34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.945 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.45 36.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.2 111.123 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -104.82 -4.93 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.157 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.4 111.118 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 71.33 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.33 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.13 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 73.21 111.156 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.919 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 75.41 111.181 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 73.45 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.4 t -88.7 172.83 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 71.34 111.143 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 73.55 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.4 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.89 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.14 111.112 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.14 111.141 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.03 111.122 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 74.54 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.853 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.55 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.4 111.09 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 71.31 111.129 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.05 110.9 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.863 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 75.05 111.12 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.22 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.907 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.072 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.41 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 63.22 111.15 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.15 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 72.21 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.905 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.85 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.845 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.2 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 75.03 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.13 111.101 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 53.23 110.849 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.852 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.56 -23.44 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -87.58 -32.74 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.02 34.48 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.877 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.33 35.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 74.4 111.145 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -105.79 -1.33 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.53 110.854 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.2 111.158 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.16 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 74.12 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 64.42 111.069 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 75.24 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.03 111.15 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.0 110.949 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 73.13 111.155 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 63.54 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 73.22 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -88.12 174.6 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.33 111.155 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 71.53 111.133 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.127 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 70.35 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 75.4 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.44 111.094 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.41 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.878 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.129 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.867 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.101 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.156 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.916 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.878 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.117 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.5 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.01 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 74.54 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 71.51 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 73.32 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.54 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.15 111.094 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 71.45 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.903 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.1 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.921 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.34 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.01 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.22 111.128 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.83 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 72.02 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.91 17.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.055 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.67 -22.05 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.893 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -97.68 -43.76 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 73.52 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -73.74 62.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 71.44 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -119.2 17.78 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.872 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.144 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.51 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.35 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.12 111.094 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.153 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.864 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.35 111.085 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 65.02 111.138 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.41 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.886 0.374 . . . . 63.35 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -88.39 172.58 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 53.3 111.113 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.03 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 74.34 111.156 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 72.34 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.9 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 70.2 111.107 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.11 111.146 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.173 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 63.22 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.42 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.888 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 70.21 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.111 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.35 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.096 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.15 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.2 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.906 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 71.54 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.858 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.13 111.139 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 43.11 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.062 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 75.14 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.32 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.2 111.16 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 64.52 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.129 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 71.13 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 72.55 110.896 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.33 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.41 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.16 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.12 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.48 -16.85 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.54 111.091 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -16.42 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.47 -46.13 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.25 110.913 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -71.26 72.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.24 111.162 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -119.21 -9.42 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 74.02 111.19 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.111 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 73.25 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 73.11 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.03 111.129 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 75.51 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.917 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.111 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 75.42 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -87.81 174.63 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 73.41 111.159 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.51 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.127 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.132 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 62.53 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.51 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 75.01 111.141 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 63.44 110.873 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 60.1 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.871 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.32 111.072 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.34 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.061 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.53 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.141 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.13 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 61.35 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.863 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.141 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.55 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 61.22 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.126 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.45 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.4 110.829 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.124 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 75.15 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.55 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.897 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 74.1 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 74.02 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 74.41 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.112 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.31 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 62.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.04 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.45 111.09 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -86.67 -21.68 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 65.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -98.04 -43.68 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -73.91 61.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 71.15 111.107 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -119.86 25.34 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 53.55 110.902 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.163 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.24 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.13 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 65.14 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.23 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 72.15 111.143 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 64.34 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.13 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 73.14 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.9 t -89.79 171.83 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.55 111.115 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 72.23 111.151 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.104 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 64.32 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 71.3 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.094 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 73.42 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.143 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 73.51 110.957 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.925 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.155 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 71.51 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.45 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.41 111.047 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 74.3 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.135 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.02 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.44 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.849 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.22 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.24 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 75.32 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.03 111.141 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.846 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.5 -22.43 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.087 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -87.7 -31.94 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 34.4 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.883 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -147.88 36.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 73.12 111.162 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.9 21.1 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.91 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.147 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.35 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.4 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.23 111.094 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 72.32 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.152 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.927 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.31 111.19 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.51 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 50.11 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 75.25 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -91.4 173.55 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 63.2 111.115 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.41 111.169 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.54 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.156 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.12 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.851 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.03 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 65.34 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 71.3 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.02 111.149 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.12 111.133 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 65.14 111.135 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.945 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 74.25 110.879 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 75.53 111.15 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.02 110.94 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.45 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 62.1 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.158 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.13 111.133 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.932 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.873 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 54.22 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.24 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 72.22 111.166 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.123 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.83 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.34 -23.61 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.01 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -32.53 19.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.898 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 34.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.881 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -146.85 34.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 72.31 111.142 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.62 -10.5 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.909 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.51 111.149 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.117 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 63.54 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.11 111.101 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 71.42 111.146 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.917 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.155 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 75.25 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -88.67 174.15 8.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.165 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.53 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.088 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.148 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 74.51 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.42 111.126 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.13 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 75.44 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.33 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.144 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.165 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.44 111.1 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.963 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.869 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.129 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.45 110.921 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.075 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 74.32 111.11 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 74.04 111.106 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.914 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.3 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.907 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.44 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 73.43 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.114 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 70.4 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.0 -17.39 17.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.065 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.07 -19.2 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.92 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -102.72 -45.06 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.57 67.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 75.51 111.082 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -120.52 18.27 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.905 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.174 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 74.01 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 73.4 111.123 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 51.12 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.939 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.22 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.01 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 73.01 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -89.75 173.82 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.55 111.137 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 72.21 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.864 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.113 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 74.51 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 74.45 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.2 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.21 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.104 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 65.44 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.54 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 75.11 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.171 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 65.42 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.097 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.123 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 74.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.21 111.097 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.08 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.42 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 73.4 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.42 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.108 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.01 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.105 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.02 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.945 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.854 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 75.4 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.22 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.1 111.147 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.24 111.124 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.83 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.857 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.8 -23.43 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.086 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -31.75 19.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.45 110.919 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.92 34.5 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.02 110.929 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.47 35.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.118 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -105.41 -2.75 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.21 111.123 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 73.04 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.2 111.088 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 72.14 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.094 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.929 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.12 111.079 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 74.1 111.133 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.04 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 73.53 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.7 t -86.51 174.18 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 53.22 111.14 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.54 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 71.53 111.1 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.51 110.874 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.2 111.115 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.25 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.129 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 73.44 111.145 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.23 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.908 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.159 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.12 111.071 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 51.23 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.05 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.135 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.51 111.14 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.892 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.01 111.133 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 74.42 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.04 111.119 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.1 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.14 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.42 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.41 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.079 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.86 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.55 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.22 -17.29 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.01 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.31 -19.4 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 62.51 110.905 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -102.15 -44.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.865 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -72.96 65.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 73.11 111.121 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.77 -10.04 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.858 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.11 111.19 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 72.02 111.163 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 52.54 111.105 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.53 111.099 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.912 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.131 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 73.25 111.134 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 74.23 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -89.67 173.55 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.138 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 75.24 111.114 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 62.44 111.115 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.44 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.146 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.842 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.911 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.53 111.163 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.073 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 54.43 111.103 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.165 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 72.24 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.901 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.53 110.896 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.859 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.2 111.127 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.888 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.069 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 75.44 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 73.52 111.156 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.55 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.4 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 71.12 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.03 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.915 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 65.34 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.823 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 44.21 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.43 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.33 111.132 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.2 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 63.24 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.72 -15.45 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 63.12 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.75 -20.28 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.8 -45.8 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 72.01 110.901 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -70.48 72.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 74.4 111.112 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.23 -9.6 9.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.135 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.44 111.121 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.21 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.1 111.076 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.144 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.886 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.156 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 74.32 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -86.38 174.1 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 71.41 111.135 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.41 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.141 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 55.15 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.31 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.098 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.902 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.34 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 62.1 111.136 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 72.41 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 74.24 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.11 111.142 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.135 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.23 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.25 111.116 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 65.13 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.099 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.52 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.52 111.164 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.14 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.089 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.923 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.894 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.52 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.921 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.2 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.2 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.162 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.52 110.897 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.59 -18.02 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.1 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.67 -22.21 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 75.15 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -97.35 -43.78 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -73.83 62.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 72.44 111.151 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.31 17.21 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 72.54 110.914 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 74.21 111.125 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.51 111.142 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.125 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.31 110.922 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 74.51 111.152 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.35 111.118 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.858 0.361 . . . . 73.13 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 t -83.97 172.65 11.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 75.12 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 71.33 111.137 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.87 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.31 111.092 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.43 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.092 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.851 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 70.11 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 74.01 110.859 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.32 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.55 111.066 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.15 111.138 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.2 111.166 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.15 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.899 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.912 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.141 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.02 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.34 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.45 111.103 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.45 110.832 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 71.12 111.1 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.02 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 63.03 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 72.4 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 74.31 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.12 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 62.53 110.877 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.21 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.09 -22.84 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.33 111.08 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.26 -32.28 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.896 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 35.1 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.887 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -149.0 38.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.13 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -105.04 -13.87 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.11 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.145 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 63.52 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.44 111.105 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 54.22 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 70.51 110.921 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.45 111.081 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.5 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 71.45 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.879 0.371 . . . . 73.54 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -90.21 173.31 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 64.15 111.144 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.4 111.132 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.41 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 72.31 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.154 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 74.11 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.03 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.104 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.52 111.166 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.112 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 75.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.41 111.136 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 53.21 111.126 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.893 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.911 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.23 111.118 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 70.21 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.11 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.918 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.085 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.22 111.14 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.41 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.14 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.03 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.43 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.902 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 65.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.889 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.34 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 74.04 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.44 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 54.32 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.11 -17.14 16.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.92 -14.88 49.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.886 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -111.33 -48.16 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -69.19 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.31 111.144 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 -6.22 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 64.1 110.92 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.11 111.111 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 65.41 111.114 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.53 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.54 111.07 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.54 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 72.4 111.127 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.879 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.126 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 73.44 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.1 t -89.14 173.33 8.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 70.54 111.14 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.141 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.13 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 63.45 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.32 111.123 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.102 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 73.31 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.865 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.099 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.867 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.19 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.108 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.932 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.905 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.178 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 73.5 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.25 111.104 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 71.14 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.35 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.04 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 71.4 111.141 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.52 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 75.54 110.904 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 54.05 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.42 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.53 111.155 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 75.5 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -22.44 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.086 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.74 -32.03 19.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 34.29 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.859 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.83 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.103 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -108.86 20.0 18.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 75.34 110.846 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 111.16 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.145 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 71.41 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 73.21 111.093 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.41 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.45 110.918 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.54 111.147 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.43 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 74.45 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -86.81 173.82 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 72.45 111.136 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 65.24 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.16 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.087 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.03 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 63.02 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.867 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.44 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.23 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.51 111.135 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 73.33 111.132 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.87 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.867 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.155 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.947 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 70.25 111.111 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.12 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.33 111.133 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.44 111.129 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.945 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.895 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.14 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.23 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.53 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 74.24 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.145 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.849 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.1 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.46 -23.79 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.122 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 34.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.919 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.73 33.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 75.33 111.116 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -107.43 19.96 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.137 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.33 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 72.52 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 72.34 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 74.33 111.146 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.33 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 75.31 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 72.15 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.44 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.0 t -87.86 173.87 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.174 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 75.42 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.137 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.01 110.864 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 74.54 111.128 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.13 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.5 111.094 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 75.44 111.143 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.863 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 71.04 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.904 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 73.44 111.097 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.53 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.129 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.151 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 45.42 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.913 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.957 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.898 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.119 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 74.23 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.914 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.4 111.117 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.13 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.3 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.41 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.904 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.887 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.1 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 65.14 110.895 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 62.2 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.24 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.085 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.865 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.15 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.81 -22.92 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 62.13 111.142 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -33.71 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 34.54 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.894 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pp -148.92 35.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.34 111.135 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.89 18.69 20.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.03 111.124 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.1 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 74.33 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.156 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 75.45 111.146 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 72.05 111.132 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 73.32 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.2 t -90.62 173.28 8.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 74.05 111.15 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.1 111.146 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.122 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.45 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.1 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 74.55 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.098 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.846 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.4 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.89 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.135 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.097 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 74.53 111.149 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.18 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.05 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.903 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.922 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.2 111.06 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.02 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.52 111.133 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.099 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.943 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.41 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.86 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.41 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.15 111.146 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 72.03 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.8 -15.5 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.45 111.141 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.7 -20.81 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.862 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -45.69 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 44.12 110.877 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -70.77 71.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 71.14 111.164 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -123.21 -3.1 8.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.886 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 74.11 111.112 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.12 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.02 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.32 111.08 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.163 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.24 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 75.0 110.927 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 71.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.01 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 73.35 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.14 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 74.31 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -89.07 175.54 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.41 111.158 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.861 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.41 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.11 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.134 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.15 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.865 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.134 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.092 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.139 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.9 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.899 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 64.02 111.147 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.45 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.54 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 71.13 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 75.33 111.102 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.04 111.155 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.938 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.911 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 64.43 110.845 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.54 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 73.31 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.123 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.877 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.62 -23.69 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 65.14 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -87.55 -32.0 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 54.11 110.864 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 34.6 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.871 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.42 34.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.168 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -105.53 -2.59 23.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.42 111.168 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 75.13 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.24 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.892 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.25 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 72.31 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.22 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 75.329999999999998 111.152 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.530000000000001 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.540000000000006 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' A' ' 49' ' ' LEU . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.349999999999994 111.192 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 52.210000000000001 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 42.130000000000003 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.25 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 31' ' ' ILE . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.340000000000003 111.112 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.299999999999997 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.911 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 43.350000000000001 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 25' ' ' VAL . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.129999999999995 111.141 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.019999999999996 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 64.510000000000005 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.439999999999998 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.151 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.647 HG22 HD12 ' A' ' 29' ' ' LEU . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.420000000000002 111.155 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 54.530000000000001 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 26' ' ' THR . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 60.210000000000001 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.856 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 111.123 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.329999999999998 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.916 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 73.540000000000006 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.210000000000001 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.049999999999997 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.030000000000001 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.219999999999999 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 55.119999999999997 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.229999999999997 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.140000000000001 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.129999999999995 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' A' ' 10' ' ' VAL . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.299999999999997 110.918 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.655 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 62.539999999999999 110.928 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 54.310000000000002 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 HG21 HD12 ' A' ' 75' ' ' ILE . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 74.120000000000005 111.153 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 55.109999999999999 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 50' ' ' GLU . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 111.1 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 65.219999999999999 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.120000000000005 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 64.150000000000006 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.329999999999998 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 65.099999999999994 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.420000000000002 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.634 HG21 ' CD2' ' A' ' 53' ' ' PHE . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.163 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 70.430000000000007 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 55.43 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 75.129999999999995 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.549999999999997 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.219999999999999 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 111.18 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 64.340000000000003 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.509999999999998 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 65.010000000000005 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 52.340000000000003 111.099 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.240000000000002 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 72.540000000000006 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.540000000000006 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 10' ' ' VAL . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.030000000000001 111.121 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.109999999999999 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 62.229999999999997 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.430000000000007 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.140000000000001 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 20' ' ' ILE . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 111.155 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 29' ' ' LEU . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.310000000000002 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 51.43 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.652 ' CG ' HG22 ' A' ' 67' ' ' THR . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.530000000000001 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.420000000000002 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 70.239999999999995 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.917 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 72.430000000000007 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 61.420000000000002 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.040000000000006 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.129999999999995 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.010000000000005 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.958 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.893 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.200000000000003 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 65.299999999999997 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.755 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.299999999999997 110.847 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.400000000000006 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 64.040000000000006 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 50' ' ' GLU . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.530000000000001 111.119 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.885 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 110.899 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.142 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 73.209999999999994 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.652 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.140000000000001 111.157 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 72' ' ' VAL . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 51.43 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.329999999999998 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.129999999999995 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.32 111.156 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 55.210000000000001 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.919 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 111.181 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 65.310000000000002 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.119999999999997 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.8 0.334 . . . . 45.420000000000002 111.143 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.749 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.219999999999999 111.13 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 61.229999999999997 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 110.89 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.140000000000001 111.112 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.439999999999998 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.019999999999996 111.141 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.548 HD12 HG12 ' A' ' 10' ' ' VAL . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.030000000000001 111.122 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 60.219999999999999 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.319999999999993 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.549999999999997 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.781 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.049999999999997 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.030000000000001 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 71.319999999999993 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.219999999999999 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.613 HG22 HD12 ' A' ' 29' ' ' LEU . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 51.310000000000002 111.129 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 62.149999999999999 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.450000000000003 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 HG22 ' A' ' 26' ' ' THR . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 51.43 110.9 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.863 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.040000000000006 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.219999999999999 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.140000000000001 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 62.340000000000003 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 111.072 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 61.310000000000002 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.040000000000006 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.409999999999997 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG13 ' CD ' ' A' ' 66' ' ' GLU . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 62.030000000000001 111.15 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.019999999999996 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.150000000000006 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 65.530000000000001 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.905 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.85 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.239999999999995 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.450000000000003 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.749 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.845 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.200000000000003 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 74.109999999999999 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.019999999999996 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 111.101 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 51.409999999999997 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.400000000000006 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.852 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' CD ' HG13 ' A' ' 42' ' ' VAL . 39.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 65.530000000000001 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.200000000000003 111.158 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 72' ' ' VAL . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 61.219999999999999 111.16 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 52.149999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 63.329999999999998 111.069 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 72.409999999999997 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.549999999999997 111.15 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.009999999999998 110.949 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.155 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.200000000000003 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.099999999999994 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 50.420000000000002 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 62.140000000000001 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.450000000000003 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 60.420000000000002 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.010000000000005 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.340000000000003 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.140000000000001 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.200000000000003 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.25 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.25 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 10' ' ' VAL . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 111.094 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.239999999999995 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.409999999999997 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.863 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.120000000000005 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 20' ' ' ILE . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 111.101 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.533 HG22 HD12 ' A' ' 29' ' ' LEU . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 111.156 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 26' ' ' THR . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.878 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HD23 ' A' ' 35' ' ' LEU . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 43.399999999999999 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.310000000000002 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 111.112 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 65.540000000000006 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 72.129999999999995 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.540000000000006 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 46' ' ' VAL . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 53.310000000000002 111.094 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.350000000000001 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.019999999999996 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.010000000000005 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 65.049999999999997 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.409999999999997 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.595 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.409999999999997 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.099999999999994 110.888 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.340000000000003 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.010000000000005 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 74' ' ' TYR . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 111.128 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 110.83 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 35.350000000000001 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.055 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 42' ' ' VAL . 7.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 70.230000000000004 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.144 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.349999999999994 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.120000000000005 111.094 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 71.329999999999998 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 57' ' ' ILE . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.549999999999997 110.864 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.349999999999994 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 72' ' ' VAL . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 62.310000000000002 111.138 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.230000000000004 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 62.25 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 52.020000000000003 111.113 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.030000000000001 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 72.439999999999998 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 54.109999999999999 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.530000000000001 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.9 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.672 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 44.009999999999998 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 64.439999999999998 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 72.109999999999999 111.146 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 31' ' ' ILE . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.173 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 53.130000000000003 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.420000000000002 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.510000000000005 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 45.310000000000002 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.785 HD13 HG12 ' A' ' 25' ' ' VAL . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 111.111 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.350000000000001 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.530000000000001 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.785 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 29' ' ' LEU . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.439999999999998 111.15 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.200000000000003 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.906 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 70.109999999999999 110.885 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 51.520000000000003 110.858 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 14' ' ' ILE . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.010000000000005 111.139 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 70.209999999999994 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.100000000000001 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 71.450000000000003 110.945 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 42.25 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 111.062 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 64.129999999999995 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.549999999999997 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.049999999999997 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.549999999999997 111.129 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 60.310000000000002 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.219999999999999 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.329999999999998 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.409999999999997 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 62' ' ' ALA . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.119999999999997 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.340000000000003 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 111.091 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.922 0.392 . . . . 65.109999999999999 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 111.19 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 31' ' ' ILE . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.239999999999995 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 62.130000000000003 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.409999999999997 111.129 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.420000000000002 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 57' ' ' ILE . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.917 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 70.239999999999995 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.310000000000002 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.329999999999998 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.409999999999997 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 64.25 111.159 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.741 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.049999999999997 111.127 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.150000000000006 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.019999999999996 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 49' ' ' LEU . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.450000000000003 111.132 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 53.020000000000003 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.329999999999998 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.510000000000005 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 10' ' ' VAL . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 60.439999999999998 110.873 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 52.299999999999997 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.509999999999998 110.871 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.847 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 111.072 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.340000000000003 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 111.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.530000000000001 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.847 HG12 HD13 ' A' ' 20' ' ' ILE . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 111.141 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.585 HG22 HD12 ' A' ' 29' ' ' LEU . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 54.219999999999999 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG22 ' A' ' 26' ' ' THR . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.665 ' CG ' HG22 ' A' ' 67' ' ' THR . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 31' ' ' ILE . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 61.240000000000002 111.141 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.549999999999997 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.229999999999997 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.319999999999993 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 51.149999999999999 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.109999999999999 111.126 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 63.229999999999997 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.63 ' O ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 53.340000000000003 110.829 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.230000000000004 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' SER . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 111.124 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.530000000000001 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.150000000000006 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 65.340000000000003 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.549999999999997 110.91 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.897 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.200000000000003 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 72.430000000000007 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 73.209999999999994 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 71.340000000000003 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' GLU . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 111.112 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.310000000000002 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 60.549999999999997 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 70.239999999999995 111.09 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.906 0.384 . . . . 53.509999999999998 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.163 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.129999999999995 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 61.100000000000001 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 62.329999999999998 111.143 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.219999999999999 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.209999999999994 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 61.25 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.9 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.769 0.319 . . . . 73.230000000000004 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.310000000000002 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 62.140000000000001 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.77 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 53.219999999999999 111.151 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 55.049999999999997 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.120000000000005 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 111.104 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 35.109999999999999 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 63.310000000000002 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.530000000000001 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 31' ' ' ILE . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 111.16 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 42.420000000000002 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 65.019999999999996 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 52.329999999999998 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD13 HG12 ' A' ' 25' ' ' VAL . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 111.094 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.240000000000002 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.109999999999999 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 61.509999999999998 111.129 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 29' ' ' LEU . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.143 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 26' ' ' THR . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 65.310000000000002 110.957 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.676 ' CG ' HG22 ' A' ' 67' ' ' THR . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.519999999999996 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.155 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 70.239999999999995 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 50.43 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.109999999999999 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.329999999999998 111.047 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.010000000000005 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 64.310000000000002 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 71.549999999999997 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.510000000000005 111.135 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.019999999999996 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.120000000000005 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.239999999999995 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.439999999999998 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.340000000000003 110.849 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.219999999999999 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.340000000000003 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.77 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.510000000000005 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.239999999999995 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 50.420000000000002 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 53.240000000000002 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 74' ' ' TYR . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 63.140000000000001 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.230000000000004 110.846 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.874 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 111.087 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 75.310000000000002 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 111.147 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 72' ' ' VAL . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.310000000000002 111.142 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.400000000000006 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.229999999999997 111.094 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.219999999999999 111.152 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 57' ' ' ILE . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.927 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.510000000000005 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.109999999999999 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.109999999999999 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 45.520000000000003 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.778 0.323 . . . . 61.350000000000001 111.115 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.140000000000001 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.329999999999998 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 111.169 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.409999999999997 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 14' ' ' ILE . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 111.156 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.010000000000005 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.524 HD12 HG12 ' A' ' 10' ' ' VAL . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 111.12 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.519 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 60.350000000000001 110.851 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.030000000000001 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.519999999999996 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.109999999999999 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HD21 ' A' ' 35' ' ' LEU . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.129999999999995 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 55.399999999999999 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.019999999999996 111.149 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.230000000000004 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.120000000000005 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 64.329999999999998 111.135 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.637 ' H ' HG23 ' A' ' 26' ' ' THR . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.945 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 28' ' ' GLN . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.239999999999995 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.879 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 HD23 ' A' ' 35' ' ' LEU . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.15 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HD12 ' A' ' 20' ' ' ILE . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.020000000000003 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.340000000000003 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 43.329999999999998 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 46' ' ' VAL . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 111.158 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.039999999999999 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.519999999999996 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.129999999999995 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.420000000000002 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.524 ' CD2' HG22 ' A' ' 10' ' ' VAL . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.099999999999994 110.932 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 52.210000000000001 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.150000000000006 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.803 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.400000000000006 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.239999999999995 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.554 HG21 HG23 ' A' ' 75' ' ' ILE . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 71.340000000000003 111.166 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 74' ' ' TYR . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 53.109999999999999 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 110.83 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.010000000000005 111.084 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.948 0.404 . . . . 74.010000000000005 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 60.0 111.149 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 54.229999999999997 111.117 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 61.240000000000002 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.109999999999999 111.101 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 51.210000000000001 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 57' ' ' ILE . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.917 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 111.155 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 55.119999999999997 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.140000000000001 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 74.25 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.030000000000001 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.049999999999997 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.088 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.673 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 55.109999999999999 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 10' ' ' VAL . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.409999999999997 111.126 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 61.340000000000003 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.340000000000003 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.881 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.329999999999998 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.786 HD13 HG12 ' A' ' 25' ' ' VAL . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.140000000000001 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.239999999999995 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.099999999999994 111.165 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 29' ' ' LEU . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.439999999999998 111.1 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 26' ' ' THR . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.129 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.130000000000003 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.921 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.075 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.109999999999999 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.340000000000003 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 46' ' ' VAL . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 73.120000000000005 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 53.420000000000002 111.106 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.439999999999998 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.420000000000002 110.881 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.907 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.439999999999998 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 72.540000000000006 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG23 ' CE2' ' A' ' 74' ' ' TYR . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 111.114 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.020000000000003 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.420000000000002 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.439999999999998 111.065 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' OE1' HG13 ' A' ' 42' ' ' VAL . 4.4 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 72.150000000000006 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 111.174 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 60.399999999999999 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.129999999999995 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 63.539999999999999 111.123 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.019999999999996 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 43.450000000000003 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.623 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.939 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 61.229999999999997 111.125 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.310000000000002 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 44.130000000000003 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 74.549999999999997 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 51.240000000000002 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.209999999999994 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.140000000000001 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.113 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 60.130000000000003 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.299999999999997 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.140000000000001 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 31' ' ' ILE . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.104 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 64.5 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.540000000000006 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 74.239999999999995 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.844 HD13 HG12 ' A' ' 25' ' ' VAL . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.349999999999994 111.171 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 42.020000000000003 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.130000000000003 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.844 HG12 HD13 ' A' ' 20' ' ' ILE . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 111.097 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.030000000000001 111.123 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 HG22 ' A' ' 26' ' ' THR . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 70.340000000000003 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.209999999999994 111.097 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 50.420000000000002 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.109999999999999 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.329999999999998 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.420000000000002 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 44.140000000000001 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.420000000000002 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG22 ' OE1' ' A' ' 66' ' ' GLU . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.349999999999994 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.439999999999998 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.010000000000005 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 60.509999999999998 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.019999999999996 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.945 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.120000000000005 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.219999999999999 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 75' ' ' ILE . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.100000000000001 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 50' ' ' GLU . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.124 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.400000000000006 110.83 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 63.210000000000001 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.319999999999993 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.857 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 111.086 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 42' ' ' VAL . 8.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.908 0.385 . . . . 74.519999999999996 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.209999999999994 111.123 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 62.109999999999999 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.200000000000003 111.088 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 70.420000000000002 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.094 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.929 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 63.25 111.079 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 72' ' ' VAL . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 63.5 111.133 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 51.219999999999999 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.040000000000006 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.319 . . . . 53.219999999999999 111.14 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 53.130000000000003 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.310000000000002 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.540000000000006 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.636 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 63.310000000000002 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.040000000000006 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.510000000000005 110.874 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.350000000000001 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' LYS . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.230000000000004 111.129 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 31' ' ' ILE . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 62.130000000000003 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.88 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.229999999999997 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.210000000000001 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 111.159 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.071 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 44.210000000000001 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.049999999999997 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 20' ' ' ILE . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 111.14 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 26' ' ' THR . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.872 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.481 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.400000000000006 110.892 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 51.420000000000002 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.019999999999996 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.049999999999997 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.010000000000005 111.133 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.019999999999996 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.239999999999995 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.230000000000004 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 ' OE2' ' A' ' 66' ' ' GLU . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.040000000000006 111.119 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 63.030000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.409999999999997 111.127 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 62.210000000000001 110.897 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.688 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.099999999999994 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.642 ' CD2' HG21 ' A' ' 75' ' ' ILE . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.140000000000001 110.904 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.420000000000002 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.409999999999997 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 50' ' ' GLU . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.079 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.86 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.030000000000001 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.030000000000001 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.638 ' OE2' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 70.340000000000003 110.858 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.109999999999999 111.19 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 31' ' ' ILE . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 63.350000000000001 111.163 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.420000000000002 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 41.43 111.105 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 51.210000000000001 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.879 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.912 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 53.140000000000001 111.131 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.009999999999998 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 52.439999999999998 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 42.009999999999998 111.138 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 111.114 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 70.530000000000001 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.150000000000006 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 49' ' ' LEU . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 52.439999999999998 111.115 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 72.120000000000005 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 31' ' ' ILE . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 70.140000000000001 111.146 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.409999999999997 110.842 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 40.43 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.163 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.420000000000002 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 60.039999999999999 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 42.509999999999998 111.103 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 29' ' ' LEU . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 111.165 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 64.540000000000006 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.727 ' O ' HD22 ' A' ' 29' ' ' LEU . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.901 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 28' ' ' GLN . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 51.310000000000002 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.230000000000004 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.329999999999998 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.549999999999997 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 64.150000000000006 110.888 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 45.219999999999999 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.230000000000004 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 64.109999999999999 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 62.43 111.156 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.549999999999997 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 61.420000000000002 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.139 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 45.149999999999999 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' CD2' HG22 ' A' ' 10' ' ' VAL . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.420000000000002 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 42.020000000000003 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.530000000000001 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.745 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.823 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 24.309999999999999 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.430000000000007 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 74' ' ' TYR . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.329999999999998 111.132 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.200000000000003 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 45.210000000000001 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.130000000000003 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.099999999999994 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.497 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.995 0.426 . . . . 75.319999999999993 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 111.135 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 31' ' ' ILE . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 111.121 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.210000000000001 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.099999999999994 111.076 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE2' HG23 ' A' ' 57' ' ' ILE . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 64.310000000000002 110.886 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.219999999999999 111.156 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 51.509999999999998 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.030000000000001 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 71.409999999999997 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 62.310000000000002 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.120000000000005 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 63.219999999999999 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.141 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 10' ' ' VAL . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 111.098 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 70.310000000000002 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.210000000000001 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.902 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.340000000000003 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 25' ' ' VAL . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 31.329999999999998 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.439999999999998 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 51.439999999999998 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' ILE . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.119999999999997 111.142 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.645 HG22 HD12 ' A' ' 29' ' ' LEU . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 51.539999999999999 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.329999999999998 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 26' ' ' THR . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.230000000000004 110.916 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 14' ' ' ILE . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 65.120000000000005 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 54.030000000000001 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.340000000000003 111.099 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 60.450000000000003 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 44.409999999999997 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.519999999999996 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 60.140000000000001 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.340000000000003 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 54.439999999999998 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.894 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.519999999999996 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.921 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.200000000000003 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.200000000000003 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 74' ' ' TYR . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.510000000000005 111.162 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.519999999999996 110.897 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 63.100000000000001 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 33.140000000000001 111.1 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 72.540000000000006 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.299999999999997 111.125 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.210000000000001 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.510000000000005 111.142 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.329999999999998 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.099999999999994 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 57' ' ' ILE . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.922 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.643 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 55.020000000000003 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 72' ' ' VAL . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 52.409999999999997 111.118 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 65.5 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 63.020000000000003 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.230000000000004 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 62.549999999999997 111.137 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 53.130000000000003 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.87 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.651 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.310000000000002 111.092 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.430000000000007 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 111.092 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 31' ' ' ILE . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 70.519999999999996 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.109999999999999 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.859 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.140000000000001 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.811 HD13 HG12 ' A' ' 25' ' ' VAL . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.549999999999997 111.066 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.616 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.200000000000003 111.166 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.912 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 111.141 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.319999999999993 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.019999999999996 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.420000000000002 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.340000000000003 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 111.103 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.219999999999999 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 42' ' ' VAL . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.450000000000003 110.832 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.149999999999999 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 39' ' ' SER . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 43.200000000000003 111.1 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.019999999999996 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 70.200000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.109999999999999 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 53.549999999999997 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.678 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 61.240000000000002 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 73.540000000000006 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG23 ' CE2' ' A' ' 74' ' ' TYR . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 111.12 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 34.030000000000001 110.877 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.019999999999996 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.209999999999994 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.219999999999999 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 111.08 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.939 0.4 . . . . 72.129999999999995 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 111.11 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 31' ' ' ILE . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 111.145 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 62.32 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.439999999999998 111.105 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 43.439999999999998 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.120000000000005 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 57' ' ' ILE . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.921 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.45 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.450000000000003 111.081 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 72' ' ' VAL . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 70.349999999999994 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.219999999999999 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 51.340000000000003 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.149999999999999 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 64.150000000000006 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.219999999999999 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.049999999999997 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.7 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 111.132 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.219999999999999 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 49' ' ' LEU . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.154 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.010000000000005 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 31' ' ' ILE . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.166 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.019999999999996 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.409999999999997 111.136 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 29' ' ' LEU . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 30.32 111.126 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 65.239999999999995 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 26' ' ' THR . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' CG ' HG22 ' A' ' 67' ' ' THR . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.911 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 62.299999999999997 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.430000000000007 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.420000000000002 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 110.918 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 111.085 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.219999999999999 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.109999999999999 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' VAL . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 72.430000000000007 111.14 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.409999999999997 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.240000000000002 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.120000000000005 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.430000000000007 111.14 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.030000000000001 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 52.25 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.439999999999998 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.773 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.892 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.430000000000007 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.7 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.340000000000003 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 72.420000000000002 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.773 HD12 ' HB3' ' A' ' 50' ' ' GLU . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 61.020000000000003 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 44.520000000000003 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.209999999999994 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.526 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.959 0.409 . . . . 64.099999999999994 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.109999999999999 111.111 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 31' ' ' ILE . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 53.009999999999998 111.114 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.530000000000001 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.539999999999999 111.07 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.540000000000006 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 70.030000000000001 111.127 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HG23 ' A' ' 57' ' ' ILE . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 63.219999999999999 110.879 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.200000000000003 111.126 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.209999999999994 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.129999999999995 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 54.200000000000003 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.788 0.327 . . . . 70.030000000000001 111.14 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.721 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.229999999999997 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 61.009999999999998 110.902 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.141 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.129999999999995 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 54.219999999999999 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.319999999999993 111.123 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 31' ' ' ILE . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 111.102 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.209999999999994 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.329999999999998 110.865 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.873 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.240000000000002 111.099 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 42.420000000000002 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 53.530000000000001 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.873 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 111.19 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.659 HG22 HD12 ' A' ' 29' ' ' LEU . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 111.108 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD12 HG22 ' A' ' 26' ' ' THR . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 42.210000000000001 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 111.178 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 52.030000000000001 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 111.104 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 64.150000000000006 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.349999999999994 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.040000000000006 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.627 HG13 ' CD ' ' A' ' 66' ' ' GLU . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 65.219999999999999 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.310000000000002 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.519999999999996 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.677 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 74.430000000000007 110.904 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.530000000000001 110.93 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.130000000000003 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.721 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.430000000000007 110.896 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 51.210000000000001 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.420000000000002 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 50' ' ' GLU . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.530000000000001 111.155 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.109999999999999 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.230000000000004 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 111.086 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' CD ' HG13 ' A' ' 42' ' ' VAL . 48.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.93 0.395 . . . . 71.200000000000003 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.530000000000001 111.16 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 72' ' ' VAL . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 62.32 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 52.140000000000001 111.093 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.409999999999997 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 111.152 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 110.918 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 70.5 111.147 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.409999999999997 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.333 . . . . 61.210000000000001 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.219999999999999 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.230000000000004 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 65.349999999999994 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.240000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.510000000000005 111.087 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.149999999999999 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.099999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 HD12 HG12 ' A' ' 10' ' ' VAL . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.112 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 51.210000000000001 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.430000000000007 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.812 HD13 HG12 ' A' ' 25' ' ' VAL . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.439999999999998 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.120000000000005 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 20' ' ' ILE . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.510000000000005 111.135 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.149999999999999 111.132 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 51.109999999999999 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.661 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.319999999999993 110.928 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.655 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.430000000000007 110.867 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 111.155 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.439999999999998 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.019999999999996 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.947 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.120000000000005 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.111 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.120000000000005 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 55.310000000000002 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 54.350000000000001 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 60.329999999999998 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.329999999999998 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.329999999999998 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.040000000000006 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.120000000000005 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.129999999999995 110.945 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.540000000000006 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.140000000000001 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.733 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.230000000000004 110.872 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.530000000000001 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 61.340000000000003 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 71.430000000000007 111.145 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.849 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.099999999999994 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.873 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.010000000000005 111.122 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 73.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.655 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.137 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 54.200000000000003 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.329999999999998 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 43.210000000000001 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.530000000000001 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 61.210000000000001 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 64.040000000000006 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.310000000000002 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.319999999999993 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 70.400000000000006 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 63.399999999999999 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.721 0.296 . . . . 74.219999999999999 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 63.32 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.409999999999997 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.727 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 71.129999999999995 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.129999999999995 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.010000000000005 110.864 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.400000000000006 111.128 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.129999999999995 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.010000000000005 111.094 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 10' ' ' VAL . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.549999999999997 111.143 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.409999999999997 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 62.32 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.863 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 55.149999999999999 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.299999999999997 110.904 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 25' ' ' VAL . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.549999999999997 111.097 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 20' ' ' ILE . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.129 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 HD22 ' A' ' 29' ' ' LEU . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.530000000000001 111.151 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 42.210000000000001 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.040000000000006 110.913 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' GLN . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 71.310000000000002 110.957 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 64.150000000000006 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 54.539999999999999 110.914 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 111.117 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.049999999999997 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.010000000000005 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.409999999999997 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.887 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.099999999999994 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.727 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 61.130000000000003 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 31.530000000000001 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.240000000000002 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 111.085 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.450000000000003 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.150000000000006 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 53.530000000000001 111.142 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.926 0.393 . . . . 74.239999999999995 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.020000000000003 111.124 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 70.150000000000006 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.129999999999995 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.219999999999999 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 57' ' ' ILE . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.937 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.420000000000002 111.146 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 70.409999999999997 111.132 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.120000000000005 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 74.049999999999997 111.15 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.230000000000004 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 111.146 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.420000000000002 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.122 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.099999999999994 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 64.010000000000005 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.534 HD12 HG12 ' A' ' 10' ' ' VAL . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.098 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.400000000000006 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.140000000000001 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.25 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.835 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 111.135 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.299999999999997 111.097 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.319999999999993 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 29' ' ' LEU . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.519999999999996 111.18 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.049999999999997 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.409999999999997 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 26' ' ' THR . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.903 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 35' ' ' LEU . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.329999999999998 111.147 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 31' ' ' ILE . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 53.350000000000001 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.119999999999997 111.06 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.420000000000002 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.519999999999996 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.040000000000006 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 46' ' ' VAL . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 111.133 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.409999999999997 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 111.099 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 63.109999999999999 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.439999999999998 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.230000000000004 110.943 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.409999999999997 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.209999999999994 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.742 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 110.86 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.209999999999994 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.409999999999997 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 74' ' ' TYR . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 111.146 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.350000000000001 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 71.319999999999993 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 63.439999999999998 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.141 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE1' HG22 ' A' ' 42' ' ' VAL . 13.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 74.299999999999997 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 63.219999999999999 111.112 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 72' ' ' VAL . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 111.12 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.020000000000003 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.319999999999993 111.08 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.310000000000002 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 111.163 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.240000000000002 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 110.927 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 64.319999999999993 111.128 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 70.010000000000005 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 53.32 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.140000000000001 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 73.230000000000004 111.158 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.299999999999997 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.688 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 65.010000000000005 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.030000000000001 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 61.450000000000003 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 53.509999999999998 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 31' ' ' ILE . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.134 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 54.219999999999999 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.865 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 25' ' ' VAL . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 51.340000000000003 111.092 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HD12 ' A' ' 29' ' ' LEU . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 111.139 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 26' ' ' THR . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.510000000000005 110.899 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.420000000000002 111.147 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.109999999999999 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.450000000000003 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.209999999999994 111.067 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 52.229999999999997 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.420000000000002 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 73.299999999999997 111.102 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.040000000000006 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.667 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.030000000000001 110.938 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HB2' HD12 ' A' ' 57' ' ' ILE . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.319999999999993 110.911 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.688 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 63.450000000000003 110.845 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.539999999999999 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 52.5 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 50' ' ' GLU . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 111.123 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 54.310000000000002 110.877 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.020000000000003 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.200000000000003 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 60.310000000000002 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.949 0.404 . . . . 74.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.030000000000001 111.168 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 53.229999999999997 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.240000000000002 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.140000000000001 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.450000000000003 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.329999999999998 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.892 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 3' ' ' ARG . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 70.209999999999994 111.121 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.219999999999999 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.849 0.357 . . . . 52.329999999999998 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -88.94 173.56 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 75.329999999999998 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.530000000000001 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.540000000000006 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' A' ' 49' ' ' LEU . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.349999999999994 111.192 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 52.210000000000001 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 42.130000000000003 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.25 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 31' ' ' ILE . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.340000000000003 111.112 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.299999999999997 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.911 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 43.350000000000001 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 25' ' ' VAL . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.129999999999995 111.141 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.019999999999996 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 64.510000000000005 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.439999999999998 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.151 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.647 HG22 HD12 ' A' ' 29' ' ' LEU . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.420000000000002 111.155 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 54.530000000000001 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 26' ' ' THR . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 60.210000000000001 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.856 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 111.123 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.329999999999998 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.916 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 73.540000000000006 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.210000000000001 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.049999999999997 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.030000000000001 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.219999999999999 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 55.119999999999997 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.229999999999997 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.140000000000001 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.129999999999995 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' A' ' 10' ' ' VAL . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.299999999999997 110.918 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.655 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 62.539999999999999 110.928 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.129999999999995 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 54.310000000000002 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 HG21 HD12 ' A' ' 75' ' ' ILE . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 74.120000000000005 111.153 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 55.109999999999999 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 50' ' ' GLU . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 111.1 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 65.219999999999999 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.120000000000005 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.35 -18.25 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -23.21 26.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 73.530000000000001 110.851 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.95 -43.73 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.239999999999995 110.945 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.574 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -74.21 61.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -122.06 15.05 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.150000000000006 110.936 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.329999999999998 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.319999999999993 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 65.099999999999994 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.420000000000002 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.634 HG21 ' CD2' ' A' ' 53' ' ' PHE . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.163 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 70.430000000000007 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 55.43 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 64.299999999999997 110.824 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -89.06 172.21 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 75.129999999999995 111.18 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.310000000000002 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.549999999999997 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.219999999999999 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 111.18 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 64.340000000000003 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.509999999999998 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 65.010000000000005 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 52.340000000000003 111.099 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.240000000000002 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 72.540000000000006 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.540000000000006 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 10' ' ' VAL . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.030000000000001 111.121 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.109999999999999 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 62.229999999999997 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.430000000000007 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.430000000000007 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.140000000000001 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.319999999999993 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.120000000000005 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 20' ' ' ILE . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.219999999999999 111.155 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 29' ' ' LEU . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.310000000000002 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 51.43 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.652 ' CG ' HG22 ' A' ' 67' ' ' THR . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.530000000000001 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.420000000000002 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 70.239999999999995 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.917 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 72.430000000000007 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 61.420000000000002 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.030000000000001 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.040000000000006 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.129999999999995 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.209999999999994 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.010000000000005 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.958 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.893 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.200000000000003 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 65.299999999999997 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.755 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.299999999999997 110.847 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.400000000000006 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 64.040000000000006 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 50' ' ' GLU . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.530000000000001 111.119 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.885 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -51.43 -22.52 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.142 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.93 -31.37 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.540000000000006 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -102.04 34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 110.945 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.45 36.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.129999999999995 111.123 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -104.82 -4.93 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.652 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.140000000000001 111.157 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 72' ' ' VAL . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 51.43 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.329999999999998 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.129999999999995 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.32 111.156 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 55.210000000000001 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.412 ' CG ' HG21 ' A' ' 65' ' ' ILE . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.919 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 111.181 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 65.310000000000002 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.119999999999997 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 73.420000000000002 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 t -88.7 172.83 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 45.420000000000002 111.143 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.749 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.219999999999999 111.13 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 61.229999999999997 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.319999999999993 110.89 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.140000000000001 111.112 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.439999999999998 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.130000000000003 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.019999999999996 111.141 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.548 HD12 HG12 ' A' ' 10' ' ' VAL . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.030000000000001 111.122 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.099999999999994 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 60.219999999999999 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.319999999999993 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.549999999999997 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.781 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.049999999999997 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.150000000000006 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.030000000000001 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 71.319999999999993 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.219999999999999 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.613 HG22 HD12 ' A' ' 29' ' ' LEU . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 51.310000000000002 111.129 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 62.149999999999999 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.450000000000003 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 HG22 ' A' ' 26' ' ' THR . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 51.43 110.9 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.863 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.040000000000006 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.219999999999999 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.140000000000001 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 62.340000000000003 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 62.420000000000002 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 111.072 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 61.310000000000002 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.040000000000006 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.409999999999997 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG13 ' CD ' ' A' ' 66' ' ' GLU . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 62.030000000000001 111.15 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.019999999999996 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.150000000000006 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 65.530000000000001 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.340000000000003 110.905 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.85 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.239999999999995 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.450000000000003 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.749 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.845 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.200000000000003 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 74.109999999999999 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.019999999999996 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 111.101 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 51.409999999999997 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.400000000000006 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.329999999999998 110.852 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.56 -23.44 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -87.58 -32.74 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.02 34.48 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 110.877 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG21 ' CG ' ' A' ' 74' ' ' TYR . 1.2 pp -147.33 35.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 71.109999999999999 111.145 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' CD ' HG13 ' A' ' 42' ' ' VAL . 39.4 mm-40 -105.79 -1.33 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.530000000000001 110.854 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.200000000000003 111.158 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 72' ' ' VAL . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 61.219999999999999 111.16 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 52.149999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 63.329999999999998 111.069 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 72.409999999999997 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.549999999999997 111.15 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.340000000000003 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CG ' HG21 ' A' ' 65' ' ' ILE . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.009999999999998 110.949 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 61.020000000000003 111.155 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.200000000000003 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.099999999999994 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 73.219999999999999 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -88.12 174.6 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 50.420000000000002 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 62.140000000000001 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.450000000000003 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 60.420000000000002 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.230000000000004 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.010000000000005 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.340000000000003 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.140000000000001 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.200000000000003 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.25 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.25 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 10' ' ' VAL . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.310000000000002 111.094 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.239999999999995 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.409999999999997 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.129999999999995 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.863 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.120000000000005 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.129999999999995 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.319999999999993 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 20' ' ' ILE . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 111.101 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.533 HG22 HD12 ' A' ' 29' ' ' LEU . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.439999999999998 111.156 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 26' ' ' THR . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.878 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HD23 ' A' ' 35' ' ' LEU . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 43.399999999999999 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.310000000000002 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 111.112 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 65.540000000000006 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 72.129999999999995 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.540000000000006 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 46' ' ' VAL . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 53.310000000000002 111.094 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.350000000000001 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.019999999999996 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.010000000000005 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 65.049999999999997 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.409999999999997 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.595 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.409999999999997 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.099999999999994 110.888 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.420000000000002 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.340000000000003 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.010000000000005 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.329999999999998 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 74' ' ' TYR . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 111.128 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 110.83 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 35.350000000000001 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 61.119999999999997 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.519999999999996 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.71 -17.91 17.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.055 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.67 -22.05 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.893 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -97.68 -43.76 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 61.450000000000003 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.59 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.74 62.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 71.439999999999998 111.125 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 42' ' ' VAL . 7.4 mt-10 -119.2 17.78 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 70.230000000000004 110.872 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.144 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.510000000000005 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.349999999999994 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.120000000000005 111.094 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.409999999999997 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 71.329999999999998 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 57' ' ' ILE . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.549999999999997 110.864 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.349999999999994 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 72' ' ' VAL . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 62.310000000000002 111.138 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.140000000000001 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.230000000000004 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 62.25 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.886 0.374 . . . . 50.240000000000002 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t -88.39 172.58 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 52.020000000000003 111.113 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 63.420000000000002 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.030000000000001 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 72.439999999999998 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 54.109999999999999 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.530000000000001 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.9 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 44.009999999999998 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 64.439999999999998 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 72.109999999999999 111.146 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 31' ' ' ILE . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.173 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 53.130000000000003 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.420000000000002 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.510000000000005 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 45.310000000000002 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.785 HD13 HG12 ' A' ' 25' ' ' VAL . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 111.111 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.109999999999999 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.350000000000001 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.530000000000001 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.785 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 29' ' ' LEU . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.439999999999998 111.15 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.200000000000003 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.906 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 70.109999999999999 110.885 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 51.520000000000003 110.858 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 14' ' ' ILE . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.010000000000005 111.139 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 70.209999999999994 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.100000000000001 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 71.450000000000003 110.945 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 42.25 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 111.062 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 64.129999999999995 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.200000000000003 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.549999999999997 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.049999999999997 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.549999999999997 111.129 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 60.310000000000002 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.219999999999999 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 62.140000000000001 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.329999999999998 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.409999999999997 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.209999999999994 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 62' ' ' ALA . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.120000000000005 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.119999999999997 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.340000000000003 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.48 -16.85 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.540000000000006 111.091 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -16.42 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.47 -46.13 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 54.509999999999998 110.913 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.523 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -71.26 72.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 65.140000000000001 111.162 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -119.21 -9.42 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 65.109999999999999 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 111.19 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 31' ' ' ILE . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.239999999999995 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 62.130000000000003 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.409999999999997 111.129 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.420000000000002 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 57' ' ' ILE . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.917 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 70.239999999999995 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.310000000000002 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.329999999999998 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.409999999999997 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 73.409999999999997 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -87.81 174.63 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.159 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.510000000000005 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.049999999999997 111.127 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.150000000000006 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.019999999999996 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 49' ' ' LEU . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.450000000000003 111.132 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 53.020000000000003 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.329999999999998 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.510000000000005 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 10' ' ' VAL . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 60.439999999999998 110.873 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 52.299999999999997 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.509999999999998 110.871 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.847 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 111.072 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.340000000000003 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.010000000000005 111.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.530000000000001 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.847 HG12 HD13 ' A' ' 20' ' ' ILE . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 111.141 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.585 HG22 HD12 ' A' ' 29' ' ' LEU . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.310000000000002 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 54.219999999999999 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG22 ' A' ' 26' ' ' THR . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.665 ' CG ' HG22 ' A' ' 67' ' ' THR . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.539999999999999 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 61.240000000000002 111.141 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.549999999999997 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.229999999999997 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.319999999999993 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 51.149999999999999 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.109999999999999 111.126 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 63.229999999999997 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.63 ' O ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 53.340000000000003 110.829 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.230000000000004 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' SER . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 111.124 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.530000000000001 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.150000000000006 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 65.340000000000003 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.340000000000003 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.549999999999997 110.91 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.430000000000007 110.897 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.200000000000003 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 72.430000000000007 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 73.209999999999994 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 71.340000000000003 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' GLU . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 111.112 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.310000000000002 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 60.549999999999997 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.67 -18.04 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 70.239999999999995 111.09 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -86.67 -21.68 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 65.319999999999993 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -98.04 -43.68 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.140000000000001 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.595 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.91 61.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 50.229999999999997 111.107 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -119.86 25.34 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 53.509999999999998 110.902 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 111.163 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.129999999999995 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 61.100000000000001 111.149 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.510000000000005 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 62.329999999999998 111.143 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.219999999999999 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.209999999999994 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 61.25 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 72.030000000000001 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.9 t -89.79 171.83 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.310000000000002 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 62.140000000000001 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.77 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 53.219999999999999 111.151 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 55.049999999999997 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.120000000000005 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 111.104 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 35.109999999999999 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 63.310000000000002 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.530000000000001 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 31' ' ' ILE . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 111.16 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 42.420000000000002 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 65.019999999999996 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 52.329999999999998 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.120000000000005 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD13 HG12 ' A' ' 25' ' ' VAL . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 111.094 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.240000000000002 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.109999999999999 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 61.509999999999998 111.129 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 29' ' ' LEU . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 111.143 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 26' ' ' THR . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 65.310000000000002 110.957 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.676 ' CG ' HG22 ' A' ' 67' ' ' THR . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.519999999999996 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 111.155 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 70.239999999999995 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 50.43 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.109999999999999 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.329999999999998 111.047 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.010000000000005 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 64.310000000000002 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 71.549999999999997 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.510000000000005 111.135 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.019999999999996 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.120000000000005 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.239999999999995 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.439999999999998 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.340000000000003 110.849 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.219999999999999 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.340000000000003 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.77 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.510000000000005 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.239999999999995 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 50.420000000000002 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 53.240000000000002 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 74' ' ' TYR . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 63.140000000000001 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.230000000000004 110.846 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' HG12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.874 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . -51.5 -22.43 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.409999999999997 111.087 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -87.7 -31.94 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.109999999999999 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 34.4 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.219999999999999 110.883 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.479 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.88 36.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 73.120000000000005 111.162 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.9 21.1 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.91 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 111.147 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 72' ' ' VAL . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.310000000000002 111.142 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.400000000000006 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.229999999999997 111.094 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.219999999999999 111.152 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 57' ' ' ILE . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.927 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 111.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.510000000000005 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.109999999999999 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.109999999999999 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 45.520000000000003 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 72.209999999999994 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -91.4 173.55 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 61.350000000000001 111.115 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.420000000000002 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.140000000000001 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.329999999999998 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.409999999999997 111.169 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.409999999999997 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 14' ' ' ILE . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.140000000000001 111.156 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.010000000000005 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.524 HD12 HG12 ' A' ' 10' ' ' VAL . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.239999999999995 111.12 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.519 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 60.350000000000001 110.851 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.030000000000001 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.519999999999996 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.109999999999999 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HD21 ' A' ' 35' ' ' LEU . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.129999999999995 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 55.399999999999999 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.019999999999996 111.149 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.100000000000001 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.230000000000004 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.120000000000005 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 64.329999999999998 111.135 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.420000000000002 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.637 ' H ' HG23 ' A' ' 26' ' ' THR . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.945 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 28' ' ' GLN . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.239999999999995 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.879 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 HD23 ' A' ' 35' ' ' LEU . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.299999999999997 111.15 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HD12 ' A' ' 20' ' ' ILE . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.020000000000003 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.340000000000003 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 43.329999999999998 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 46' ' ' VAL . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 111.158 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.039999999999999 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.519999999999996 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.239999999999995 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.129999999999995 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.420000000000002 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' CD2' HG22 ' A' ' 10' ' ' VAL . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.099999999999994 110.932 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 52.210000000000001 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.150000000000006 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.803 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.400000000000006 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.239999999999995 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.554 HG21 HG23 ' A' ' 75' ' ' ILE . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 71.340000000000003 111.166 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 74' ' ' TYR . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 53.109999999999999 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.010000000000005 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.34 -23.61 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.010000000000005 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -32.53 19.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 73.140000000000001 110.898 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -100.05 34.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.881 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 61' ' ' ASP . 1.2 pp -146.85 34.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.219999999999999 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.62 -10.5 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.010000000000005 110.909 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 60.0 111.149 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 54.229999999999997 111.117 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 61.240000000000002 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.109999999999999 111.101 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 51.210000000000001 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 57' ' ' ILE . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 73.150000000000006 110.917 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 111.155 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 55.119999999999997 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.310000000000002 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.140000000000001 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.329999999999998 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 75.25 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -88.67 174.15 8.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.165 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.030000000000001 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.049999999999997 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.088 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.673 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.209999999999994 111.148 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 55.109999999999999 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 10' ' ' VAL . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.409999999999997 111.126 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.230000000000004 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 61.340000000000003 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.340000000000003 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.881 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.329999999999998 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.786 HD13 HG12 ' A' ' 25' ' ' VAL . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.140000000000001 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.239999999999995 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.099999999999994 111.165 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 29' ' ' LEU . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.439999999999998 111.1 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 26' ' ' THR . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.439999999999998 111.129 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.130000000000003 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.921 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.409999999999997 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.219999999999999 111.075 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.109999999999999 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.340000000000003 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 46' ' ' VAL . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 73.120000000000005 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 53.420000000000002 111.106 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.450000000000003 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.439999999999998 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.420000000000002 110.881 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.299999999999997 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.907 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.439999999999998 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 72.540000000000006 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG23 ' CE2' ' A' ' 74' ' ' TYR . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 111.114 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.020000000000003 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.219999999999999 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.420000000000002 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.0 -17.39 17.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.439999999999998 111.065 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.07 -19.2 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.209999999999994 110.92 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -102.72 -45.06 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 73.219999999999999 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.573 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -72.57 67.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.082 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' OE1' HG13 ' A' ' 42' ' ' VAL . 4.4 mt-10 -120.52 18.27 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.150000000000006 110.905 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.129999999999995 111.174 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 60.399999999999999 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.129999999999995 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 63.539999999999999 111.123 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.019999999999996 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 43.450000000000003 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.623 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.939 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 61.229999999999997 111.125 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.310000000000002 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 44.130000000000003 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.010000000000005 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 73.010000000000005 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -89.75 173.82 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 111.137 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 51.240000000000002 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.209999999999994 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.140000000000001 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.113 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 60.130000000000003 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 54.420000000000002 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.299999999999997 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.209999999999994 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.140000000000001 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 31' ' ' ILE . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 111.104 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 64.5 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.540000000000006 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 74.239999999999995 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.844 HD13 HG12 ' A' ' 25' ' ' VAL . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.349999999999994 111.171 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 42.020000000000003 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.130000000000003 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.844 HG12 HD13 ' A' ' 20' ' ' ILE . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 111.097 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.030000000000001 111.123 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 HG22 ' A' ' 26' ' ' THR . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 70.340000000000003 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.209999999999994 111.097 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 50.420000000000002 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.109999999999999 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.329999999999998 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.340000000000003 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.109999999999999 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.420000000000002 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 44.140000000000001 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.420000000000002 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG22 ' OE1' ' A' ' 66' ' ' GLU . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.349999999999994 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.439999999999998 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.010000000000005 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 60.509999999999998 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.019999999999996 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 60.140000000000001 110.945 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.120000000000005 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.219999999999999 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 75' ' ' ILE . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.100000000000001 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 50' ' ' GLU . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.124 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.400000000000006 110.83 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 63.210000000000001 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.319999999999993 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 65' ' ' ILE . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.420000000000002 110.857 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.8 -23.43 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 111.086 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -31.75 19.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.450000000000003 110.919 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.92 34.5 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.929 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.414 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.1 pp -147.47 35.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.120000000000005 111.118 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 42' ' ' VAL . 8.9 mt-10 -105.41 -2.75 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.209999999999994 111.123 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 62.109999999999999 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.200000000000003 111.088 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 70.420000000000002 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.094 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CG ' HG21 ' A' ' 65' ' ' ILE . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.200000000000003 110.929 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 63.25 111.079 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 72' ' ' VAL . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 63.5 111.133 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 51.219999999999999 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.040000000000006 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 70.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 t -86.51 174.18 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 53.219999999999999 111.14 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 53.130000000000003 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.310000000000002 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.540000000000006 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.636 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 63.310000000000002 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.040000000000006 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.510000000000005 110.874 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.350000000000001 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' LYS . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.230000000000004 111.129 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 31' ' ' ILE . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 62.130000000000003 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.88 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.229999999999997 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.549999999999997 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.210000000000001 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 111.159 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 71.340000000000003 111.071 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 44.210000000000001 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.049999999999997 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 20' ' ' ILE . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 111.14 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 26' ' ' THR . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.872 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.481 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.400000000000006 110.892 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 51.420000000000002 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.019999999999996 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.049999999999997 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.010000000000005 111.133 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.019999999999996 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.239999999999995 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.230000000000004 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 ' OE2' ' A' ' 66' ' ' GLU . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.040000000000006 111.119 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 63.030000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.409999999999997 111.127 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 62.210000000000001 110.897 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.688 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.099999999999994 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.120000000000005 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.642 ' CD2' HG21 ' A' ' 75' ' ' ILE . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.140000000000001 110.904 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.420000000000002 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.409999999999997 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.420000000000002 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 50' ' ' GLU . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 111.079 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.86 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.030000000000001 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.549999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.22 -17.29 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.030000000000001 111.143 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.31 -19.4 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 62.509999999999998 110.905 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -102.15 -44.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.299999999999997 110.865 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pt -72.96 65.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 63.210000000000001 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.638 ' OE2' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -119.77 -10.04 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 70.340000000000003 110.858 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.109999999999999 111.19 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 31' ' ' ILE . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 63.350000000000001 111.163 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.420000000000002 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 41.43 111.105 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 51.210000000000001 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.879 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CD2' HD13 ' A' ' 65' ' ' ILE . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.912 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 53.140000000000001 111.131 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.549999999999997 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.009999999999998 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 52.439999999999998 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 64.109999999999999 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -89.67 173.55 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 42.009999999999998 111.138 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.430000000000007 111.114 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 70.530000000000001 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.150000000000006 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 49' ' ' LEU . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 52.439999999999998 111.115 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 72.120000000000005 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 31' ' ' ILE . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 70.140000000000001 111.146 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.409999999999997 110.842 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 40.43 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.109999999999999 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.163 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.420000000000002 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.129999999999995 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 60.039999999999999 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 42.509999999999998 111.103 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 29' ' ' LEU . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.209999999999994 111.165 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 64.540000000000006 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.727 ' O ' HD22 ' A' ' 29' ' ' LEU . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.901 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 28' ' ' GLN . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 51.310000000000002 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.230000000000004 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.329999999999998 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.549999999999997 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 64.150000000000006 110.888 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 45.219999999999999 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.230000000000004 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 64.109999999999999 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 62.43 111.156 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.549999999999997 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 61.420000000000002 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.139 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 45.149999999999999 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' CD2' HG22 ' A' ' 10' ' ' VAL . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.420000000000002 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 42.020000000000003 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.530000000000001 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.745 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 62.439999999999998 110.823 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 24.309999999999999 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.430000000000007 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 74' ' ' TYR . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.329999999999998 111.132 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.200000000000003 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 45.210000000000001 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.130000000000003 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.099999999999994 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.497 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -57.72 -15.45 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.126 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.75 -20.28 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.8 -45.8 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 72.010000000000005 110.901 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -70.48 72.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.340000000000003 111.112 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.23 -9.6 9.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 75.319999999999993 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.299999999999997 111.135 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 31' ' ' ILE . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 111.121 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.210000000000001 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.099999999999994 111.076 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 65' ' ' ILE . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 64.310000000000002 110.886 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.219999999999999 111.156 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.019999999999996 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 51.509999999999998 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.030000000000001 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 72.420000000000002 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -86.38 174.1 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 71.409999999999997 111.135 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 62.310000000000002 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.120000000000005 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 63.219999999999999 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.049999999999997 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.141 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 54.229999999999997 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 10' ' ' VAL . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 111.098 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 70.310000000000002 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.210000000000001 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.902 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.340000000000003 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 25' ' ' VAL . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 31.329999999999998 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.439999999999998 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 51.439999999999998 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' ILE . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.119999999999997 111.142 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.645 HG22 HD12 ' A' ' 29' ' ' LEU . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 51.539999999999999 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.340000000000003 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.329999999999998 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 26' ' ' THR . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.230000000000004 110.916 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 14' ' ' ILE . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 65.120000000000005 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 54.030000000000001 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.340000000000003 111.099 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.430000000000007 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 60.450000000000003 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 44.409999999999997 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.519999999999996 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 60.140000000000001 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.340000000000003 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.510000000000005 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 54.439999999999998 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.120000000000005 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.894 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.519999999999996 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.921 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.200000000000003 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.200000000000003 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 74' ' ' TYR . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.510000000000005 111.162 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.519999999999996 110.897 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.319999999999993 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 63.100000000000001 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.59 -18.02 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 33.140000000000001 111.1 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.67 -22.21 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.239999999999995 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -97.35 -43.78 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.409999999999997 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.83 62.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 62.329999999999998 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.31 17.21 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 72.540000000000006 110.914 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.299999999999997 111.125 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.210000000000001 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.510000000000005 111.142 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.329999999999998 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.450000000000003 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.099999999999994 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 57' ' ' ILE . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 110.922 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.643 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 55.020000000000003 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 72' ' ' VAL . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 52.409999999999997 111.118 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.230000000000004 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.858 0.361 . . . . 71.099999999999994 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t -83.97 172.65 11.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 65.5 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 63.020000000000003 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.230000000000004 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 62.549999999999997 111.137 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 62.420000000000002 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 53.130000000000003 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.230000000000004 110.87 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.651 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.310000000000002 111.092 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.430000000000007 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.019999999999996 111.092 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 31' ' ' ILE . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 70.519999999999996 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.109999999999999 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.859 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.140000000000001 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.811 HD13 HG12 ' A' ' 25' ' ' VAL . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.549999999999997 111.066 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.616 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.200000000000003 111.166 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.150000000000006 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.912 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 111.141 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.319999999999993 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.019999999999996 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.420000000000002 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.340000000000003 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.450000000000003 111.103 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.219999999999999 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 42' ' ' VAL . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.450000000000003 110.832 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.149999999999999 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 39' ' ' SER . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 43.200000000000003 111.1 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.019999999999996 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 70.200000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.109999999999999 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 53.549999999999997 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.678 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 61.240000000000002 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 73.540000000000006 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG23 ' CE2' ' A' ' 74' ' ' TYR . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 111.12 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 34.030000000000001 110.877 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.019999999999996 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.209999999999994 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.219999999999999 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -51.09 -22.84 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 111.08 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.26 -32.28 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 70.040000000000006 110.896 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -101.12 35.1 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.887 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 65' ' ' ILE . 1.2 pp -149.0 38.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.129999999999995 111.125 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -105.04 -13.87 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 111.11 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 31' ' ' ILE . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 111.145 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 62.32 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.439999999999998 111.105 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 43.439999999999998 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.120000000000005 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 57' ' ' ILE . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.921 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.45 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.450000000000003 111.081 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 72' ' ' VAL . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 70.349999999999994 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.219999999999999 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 51.340000000000003 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.149999999999999 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.879 0.371 . . . . 64.530000000000001 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -90.21 173.31 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 64.150000000000006 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.219999999999999 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.049999999999997 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.7 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 111.132 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.219999999999999 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.409999999999997 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.420000000000002 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 49' ' ' LEU . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.154 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.010000000000005 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.409999999999997 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.329999999999998 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 31' ' ' ILE . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.319999999999993 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.450000000000003 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 111.166 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.019999999999996 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.409999999999997 111.136 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 29' ' ' LEU . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 30.32 111.126 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 65.239999999999995 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 26' ' ' THR . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' CG ' HG22 ' A' ' 67' ' ' THR . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.911 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 62.299999999999997 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.430000000000007 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.420000000000002 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 110.918 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 62.030000000000001 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 111.085 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.219999999999999 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.109999999999999 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' VAL . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 72.430000000000007 111.14 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.409999999999997 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.240000000000002 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.120000000000005 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.430000000000007 111.14 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.030000000000001 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 52.25 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.439999999999998 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.773 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.892 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.430000000000007 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.7 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.519999999999996 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.340000000000003 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 72.420000000000002 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.340000000000003 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.773 HD12 ' HB3' ' A' ' 50' ' ' GLU . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 61.020000000000003 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 44.520000000000003 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.209999999999994 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.526 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.11 -17.14 16.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.095 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.92 -14.88 49.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.119999999999997 110.886 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -111.33 -48.16 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 75.439999999999998 110.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -69.19 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.310000000000002 111.144 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 -6.22 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 64.099999999999994 110.92 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.109999999999999 111.111 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 31' ' ' ILE . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 53.009999999999998 111.114 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.530000000000001 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.539999999999999 111.07 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.540000000000006 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 70.030000000000001 111.127 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 65' ' ' ILE . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 63.219999999999999 110.879 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.200000000000003 111.126 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.209999999999994 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.129999999999995 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 54.200000000000003 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 72.400000000000006 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.1 t -89.14 173.33 8.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 70.030000000000001 111.14 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.519999999999996 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.721 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.229999999999997 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.519999999999996 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 61.009999999999998 110.902 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.141 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.129999999999995 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 54.219999999999999 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.319999999999993 111.123 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 31' ' ' ILE . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 111.102 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.209999999999994 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.329999999999998 110.865 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.873 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.240000000000002 111.099 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 42.420000000000002 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 53.530000000000001 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.200000000000003 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.040000000000006 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.873 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 111.19 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.659 HG22 HD12 ' A' ' 29' ' ' LEU . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 111.108 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.659 HD12 HG22 ' A' ' 26' ' ' THR . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 42.210000000000001 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 111.178 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.439999999999998 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 52.030000000000001 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 111.104 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 64.150000000000006 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.349999999999994 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.040000000000006 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.627 HG13 ' CD ' ' A' ' 66' ' ' GLU . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 65.219999999999999 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.310000000000002 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.519999999999996 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.319999999999993 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.677 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 74.430000000000007 110.904 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.530000000000001 110.93 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.130000000000003 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.721 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.430000000000007 110.896 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 51.210000000000001 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.420000000000002 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 50' ' ' GLU . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.530000000000001 111.155 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.109999999999999 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.230000000000004 110.846 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -22.44 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 111.086 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.74 -32.03 19.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.86 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 34.29 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.859 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.1 pp -147.83 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 74.230000000000004 111.103 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' CD ' HG13 ' A' ' 42' ' ' VAL . 48.3 mm-40 -108.86 20.0 18.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 71.200000000000003 110.846 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.530000000000001 111.16 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 72' ' ' VAL . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 62.32 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 52.140000000000001 111.093 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.409999999999997 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 111.152 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CG ' HG21 ' A' ' 65' ' ' ILE . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 110.918 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 70.5 111.147 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.409999999999997 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 74.450000000000003 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -86.81 173.82 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.210000000000001 111.136 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.219999999999999 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.230000000000004 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 65.349999999999994 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.240000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.120000000000005 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.510000000000005 111.087 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.149999999999999 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.099999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 HD12 HG12 ' A' ' 10' ' ' VAL . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.140000000000001 111.112 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 51.210000000000001 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.230000000000004 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.430000000000007 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.812 HD13 HG12 ' A' ' 25' ' ' VAL . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.439999999999998 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.120000000000005 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 20' ' ' ILE . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.510000000000005 111.135 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.149999999999999 111.132 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 51.109999999999999 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.661 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.319999999999993 110.928 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.655 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.430000000000007 110.867 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 111.155 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.439999999999998 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.019999999999996 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.947 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.120000000000005 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.111 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.120000000000005 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 55.310000000000002 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 54.350000000000001 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 60.329999999999998 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.099999999999994 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.329999999999998 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.329999999999998 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.040000000000006 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.120000000000005 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.129999999999995 110.945 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.540000000000006 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.140000000000001 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.733 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.230000000000004 110.872 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.530000000000001 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 61.340000000000003 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 71.430000000000007 111.145 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.430000000000007 110.849 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.099999999999994 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 65' ' ' ILE . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.873 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.46 -23.79 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.010000000000005 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.200000000000003 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 34.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.120000000000005 110.919 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.1 pp -147.73 33.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 65.310000000000002 111.116 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -107.43 19.96 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.655 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.137 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 54.200000000000003 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.329999999999998 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 43.210000000000001 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.530000000000001 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 61.210000000000001 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 64.040000000000006 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.310000000000002 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.319999999999993 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 70.400000000000006 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 63.399999999999999 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.439999999999998 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -87.86 173.87 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 111.174 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 63.32 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.409999999999997 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.727 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 71.129999999999995 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.129999999999995 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.010000000000005 110.864 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.400000000000006 111.128 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.129999999999995 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.319999999999993 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.010000000000005 111.094 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 10' ' ' VAL . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.549999999999997 111.143 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.409999999999997 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 62.32 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.209999999999994 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.319999999999993 110.863 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 55.149999999999999 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.299999999999997 110.904 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 25' ' ' VAL . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.549999999999997 111.097 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 64.420000000000002 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 20' ' ' ILE . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.129 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 HD22 ' A' ' 29' ' ' LEU . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.530000000000001 111.151 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 42.210000000000001 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.040000000000006 110.913 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' GLN . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 71.310000000000002 110.957 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 64.150000000000006 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 54.539999999999999 110.914 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 61.140000000000001 111.117 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.049999999999997 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.439999999999998 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.129999999999995 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.430000000000007 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.010000000000005 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.409999999999997 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.430000000000007 110.887 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.099999999999994 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.727 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 61.130000000000003 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 31.530000000000001 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.240000000000002 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 111.085 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.450000000000003 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.150000000000006 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . -50.81 -22.92 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 53.530000000000001 111.142 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -33.71 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.530000000000001 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 34.54 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 65.109999999999999 110.894 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -148.92 35.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 62.149999999999999 111.135 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.89 18.69 20.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 74.239999999999995 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.020000000000003 111.124 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 73.129999999999995 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 70.150000000000006 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.129999999999995 111.086 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.340000000000003 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.219999999999999 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 57' ' ' ILE . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.937 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.420000000000002 111.146 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 70.409999999999997 111.132 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.120000000000005 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 73.319999999999993 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -90.62 173.28 8.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 74.049999999999997 111.15 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.230000000000004 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.120000000000005 111.146 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 71.439999999999998 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.420000000000002 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.122 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.099999999999994 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 64.010000000000005 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.534 HD12 HG12 ' A' ' 10' ' ' VAL . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.098 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.340000000000003 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.400000000000006 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.140000000000001 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.25 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.835 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 111.135 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.299999999999997 111.097 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.319999999999993 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 29' ' ' LEU . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.519999999999996 111.18 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.049999999999997 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.409999999999997 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 26' ' ' THR . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.903 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.219999999999999 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 35' ' ' LEU . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.329999999999998 111.147 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 31' ' ' ILE . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 53.350000000000001 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.409999999999997 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.119999999999997 111.06 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.420000000000002 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.519999999999996 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.040000000000006 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 46' ' ' VAL . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 111.133 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.409999999999997 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 111.099 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 63.109999999999999 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.439999999999998 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.230000000000004 110.943 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.409999999999997 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.209999999999994 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.742 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 110.86 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.209999999999994 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.409999999999997 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 74' ' ' TYR . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.530000000000001 111.146 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.350000000000001 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 71.319999999999993 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 63.439999999999998 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -57.8 -15.5 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.141 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.7 -20.81 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.862 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -45.69 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 44.119999999999997 110.877 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -70.77 71.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.219999999999999 111.164 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE1' HG22 ' A' ' 42' ' ' VAL . 13.3 mt-10 -123.21 -3.1 8.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 63.219999999999999 111.112 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 72' ' ' VAL . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 111.12 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.020000000000003 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.319999999999993 111.08 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.310000000000002 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.450000000000003 111.163 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.240000000000002 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 110.927 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 64.319999999999993 111.128 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 70.010000000000005 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 53.32 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.140000000000001 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 63.240000000000002 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 t -89.07 175.54 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.230000000000004 111.158 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.299999999999997 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.530000000000001 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.688 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 65.010000000000005 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.030000000000001 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 61.450000000000003 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 53.509999999999998 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 31' ' ' ILE . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.134 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 54.219999999999999 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.865 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 25' ' ' VAL . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.200000000000003 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 51.340000000000003 111.092 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HD12 ' A' ' 29' ' ' LEU . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.109999999999999 111.139 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 26' ' ' THR . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.510000000000005 110.899 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.420000000000002 111.147 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.109999999999999 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.450000000000003 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.209999999999994 111.067 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 52.229999999999997 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.450000000000003 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.420000000000002 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 73.299999999999997 111.102 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.040000000000006 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.667 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.030000000000001 110.938 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HB2' HD12 ' A' ' 57' ' ' ILE . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.319999999999993 110.911 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.430000000000007 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.688 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 63.450000000000003 110.845 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.539999999999999 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 52.5 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 50' ' ' GLU . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.099999999999994 111.123 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 54.310000000000002 110.877 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.020000000000003 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.200000000000003 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.62 -23.69 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 60.310000000000002 111.132 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -87.55 -32.0 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 54.109999999999999 110.864 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.51 34.6 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.099999999999994 110.871 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.404 HG21 ' CG ' ' A' ' 74' ' ' TYR . 1.1 pp -147.42 34.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 43.229999999999997 111.168 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -105.53 -2.59 23.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 74.510000000000005 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.030000000000001 111.168 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 53.229999999999997 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.240000000000002 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.140000000000001 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.450000000000003 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.329999999999998 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CG ' HG21 ' A' ' 65' ' ' ILE . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.892 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 3' ' ' ARG . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 70.209999999999994 111.121 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.219999999999999 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 75.33 111.152 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.53 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' A' ' 49' ' ' LEU . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.35 111.192 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 52.21 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 42.13 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.25 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 31' ' ' ILE . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.34 111.112 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.3 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.911 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 43.35 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 25' ' ' VAL . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.141 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 64.51 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.151 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.647 HG22 HD12 ' A' ' 29' ' ' LEU . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.42 111.155 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 54.53 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 26' ' ' THR . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 60.21 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.856 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.123 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.916 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.21 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.05 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.03 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.22 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.23 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' A' ' 10' ' ' VAL . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.918 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.655 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 62.54 110.928 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.74 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 54.31 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 HG21 HD12 ' A' ' 75' ' ' ILE . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 74.12 111.153 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 55.11 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 50' ' ' GLU . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.1 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 65.22 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 64.15 110.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.33 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 65.1 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.42 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.634 HG21 ' CD2' ' A' ' 53' ' ' PHE . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.163 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 70.43 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 55.43 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 75.13 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.55 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.18 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.51 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.676 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 52.34 111.099 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.24 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 72.54 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.54 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 10' ' ' VAL . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.03 111.121 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.11 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 62.23 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 20' ' ' ILE . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.13 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.22 111.155 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 29' ' ' LEU . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 51.43 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.652 ' CG ' HG22 ' A' ' 67' ' ' THR . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.53 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.42 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.917 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 72.43 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 61.42 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.04 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.13 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.01 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.676 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.958 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.893 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.755 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.847 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.4 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 64.04 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 50' ' ' GLU . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.53 111.119 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.885 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 71.43 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.899 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.142 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.908 0.385 . . . . 73.21 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.652 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.14 111.157 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 72' ' ' VAL . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 51.43 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.33 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.13 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.32 111.156 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.919 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.53 111.181 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 65.31 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 t . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.8 0.334 . . . . 45.42 111.143 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.749 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.13 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 61.23 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.89 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.14 111.112 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.13 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.02 111.141 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.548 HD12 HG12 ' A' ' 10' ' ' VAL . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.03 111.122 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.1 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 60.22 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.55 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.781 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.05 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.03 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.613 HG22 HD12 ' A' ' 29' ' ' LEU . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 51.31 111.129 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 62.15 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 HG22 ' A' ' 26' ' ' THR . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 51.43 110.9 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.863 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.04 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.22 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.072 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 61.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.41 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG13 ' CD ' ' A' ' 66' ' ' GLU . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 62.03 111.15 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.02 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.15 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 65.53 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.905 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.85 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.749 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.845 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.2 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 74.11 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.13 111.101 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 51.41 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.852 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.095 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' CD ' HG13 ' A' ' 42' ' ' VAL . 39.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 65.53 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.2 111.158 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 72' ' ' VAL . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 61.22 111.16 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 52.15 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 63.33 111.069 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 72.41 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.55 111.15 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.01 110.949 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 61.02 111.155 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.2 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.31 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.801 0.334 . . . . 50.42 111.155 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 60.42 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.14 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.2 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.25 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.25 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 10' ' ' VAL . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.094 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.41 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.863 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 20' ' ' ILE . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.23 111.101 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.533 HG22 HD12 ' A' ' 29' ' ' LEU . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.156 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 26' ' ' THR . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.878 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HD23 ' A' ' 35' ' ' LEU . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 43.4 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.01 111.112 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 65.54 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 72.13 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.54 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 46' ' ' VAL . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 53.31 111.094 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.01 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 65.05 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.595 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.1 110.888 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.34 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.01 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 74' ' ' TYR . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.22 111.128 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.83 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 35.35 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.055 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 42' ' ' VAL . 7.4 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.9 0.381 . . . . 70.23 110.872 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.144 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.51 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.35 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.12 111.094 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 71.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 57' ' ' ILE . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.864 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.35 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 72' ' ' VAL . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 62.31 111.138 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 62.25 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 52.02 111.113 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.03 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 54.11 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.53 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.9 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.672 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 44.01 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 64.44 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.33 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.146 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 31' ' ' ILE . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.173 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 53.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.42 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 45.31 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.785 HD13 HG12 ' A' ' 25' ' ' VAL . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.51 111.111 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.35 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.785 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 29' ' ' LEU . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.15 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.2 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.906 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 70.11 110.885 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 51.52 110.858 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 14' ' ' ILE . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.01 111.139 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 70.21 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 71.45 110.945 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 42.25 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.062 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 64.13 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.32 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.2 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.05 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.129 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.33 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.41 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 62' ' ' ALA . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.12 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.54 111.091 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.922 0.392 . . . . 65.11 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.19 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 31' ' ' ILE . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 61.14 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 62.13 111.114 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.129 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 57' ' ' ILE . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.917 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 64.25 111.159 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.51 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.741 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.05 111.127 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 49' ' ' LEU . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.132 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 53.02 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.51 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 10' ' ' VAL . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.34 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 60.44 110.873 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 52.3 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.51 110.871 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.847 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.072 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.34 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.53 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.847 HG12 HD13 ' A' ' 20' ' ' ILE . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.141 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.585 HG22 HD12 ' A' ' 29' ' ' LEU . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.31 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 54.22 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG22 ' A' ' 26' ' ' THR . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.665 ' CG ' HG22 ' A' ' 67' ' ' THR . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.54 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 61.24 111.141 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.55 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 51.15 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.126 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 63.23 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.63 ' O ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 53.34 110.829 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' SER . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.124 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.15 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.55 110.91 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.897 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 72.43 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 73.21 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 71.34 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' GLU . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.112 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.31 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 60.55 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.09 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.906 0.384 . . . . 53.51 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.163 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.2 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.13 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 61.1 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 62.33 111.143 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 61.25 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.9 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.769 0.319 . . . . 73.23 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.77 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 53.22 111.151 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 55.05 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.21 111.104 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 35.11 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 63.31 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.53 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 31' ' ' ILE . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.16 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 42.42 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 65.02 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 52.33 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.767 HD13 HG12 ' A' ' 25' ' ' VAL . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.094 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 61.51 111.129 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 29' ' ' LEU . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.143 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 26' ' ' THR . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.957 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.676 ' CG ' HG22 ' A' ' 67' ' ' THR . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.155 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 70.24 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 50.43 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.047 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 64.31 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 71.55 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.135 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.02 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.44 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.34 110.849 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.22 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.77 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.51 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.24 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 50.42 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 53.24 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 74' ' ' TYR . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 63.14 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.846 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.087 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.927 0.394 . . . . 75.31 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.147 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 72' ' ' VAL . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.31 111.142 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.4 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.23 111.094 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.152 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 57' ' ' ILE . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.927 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.24 111.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.51 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.11 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 45.52 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.778 0.323 . . . . 61.35 111.115 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.803 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.41 111.169 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.41 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 14' ' ' ILE . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.156 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.524 HD12 HG12 ' A' ' 10' ' ' VAL . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.12 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.519 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 60.35 110.851 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.03 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HD21 ' A' ' 35' ' ' LEU . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 55.4 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.02 111.149 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 25' ' ' VAL . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.12 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.135 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.637 ' H ' HG23 ' A' ' 26' ' ' THR . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.945 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 28' ' ' GLN . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.879 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 HD23 ' A' ' 35' ' ' LEU . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.3 111.15 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HD12 ' A' ' 20' ' ' ILE . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.02 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 53.44 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.34 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 43.33 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 46' ' ' VAL . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.33 111.158 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.04 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.13 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.524 ' CD2' HG22 ' A' ' 10' ' ' VAL . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.932 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 52.21 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.803 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.24 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.554 HG21 HG23 ' A' ' 75' ' ' ILE . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 71.34 111.166 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 74' ' ' TYR . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.23 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 53.11 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.83 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.01 111.084 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.948 0.404 . . . . 74.01 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 60.0 111.149 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.117 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.11 111.101 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 51.21 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 57' ' ' ILE . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.917 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.155 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 55.12 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 74.25 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.53 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.088 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.673 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.21 111.148 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 55.11 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 10' ' ' VAL . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.126 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.34 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.881 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.33 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.786 HD13 HG12 ' A' ' 25' ' ' VAL . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.14 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.165 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 29' ' ' LEU . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.44 111.1 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 26' ' ' THR . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 65.45 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.129 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.921 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.075 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 46' ' ' VAL . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 53.42 111.106 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.42 110.881 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.3 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.907 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.44 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 72.54 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG23 ' CE2' ' A' ' 74' ' ' TYR . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.114 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.065 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' OE1' HG13 ' A' ' 42' ' ' VAL . 4.4 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 72.15 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.174 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 60.4 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 63.54 111.123 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 43.45 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.623 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.43 110.939 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 61.23 111.125 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.31 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 44.13 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.01 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 74.55 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 51.24 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.113 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 60.13 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.3 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.21 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 31' ' ' ILE . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.104 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 64.5 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.54 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.844 HD13 HG12 ' A' ' 25' ' ' VAL . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.171 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 42.02 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.13 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.844 HG12 HD13 ' A' ' 20' ' ' ILE . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.097 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.123 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 HG22 ' A' ' 26' ' ' THR . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 70.34 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.21 111.097 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.11 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.42 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 44.14 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.42 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG22 ' OE1' ' A' ' 66' ' ' GLU . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.01 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 60.51 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.02 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.945 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.53 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.22 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 75' ' ' ILE . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.1 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 50' ' ' GLU . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.124 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.83 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.857 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.086 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 42' ' ' VAL . 8.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.908 0.385 . . . . 74.52 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.21 111.123 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 62.11 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.2 111.088 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 70.42 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.094 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.929 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 63.25 111.079 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 72' ' ' VAL . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 63.5 111.133 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 51.22 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.04 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.771 0.319 . . . . 53.22 111.14 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 53.13 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.54 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.636 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.51 110.874 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.2 111.115 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' LYS . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.23 111.129 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 31' ' ' ILE . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 62.13 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.88 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.23 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.159 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 71.34 111.071 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 44.21 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.05 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 20' ' ' ILE . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.51 111.14 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 26' ' ' THR . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.872 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.481 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.892 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 51.42 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.01 111.133 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.02 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.23 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 ' OE2' ' A' ' 66' ' ' GLU . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.04 111.119 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 63.03 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.41 111.127 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.897 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.688 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.1 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.642 ' CD2' HG21 ' A' ' 75' ' ' ILE . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.14 110.904 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.42 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.41 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 50' ' ' GLU . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.079 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.86 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 53.41 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.55 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.143 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.638 ' OE2' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 70.34 110.858 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.11 111.19 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 31' ' ' ILE . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 63.35 111.163 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 41.43 111.105 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 51.21 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.15 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.879 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 53.14 111.131 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 70.34 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 52.44 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 42.01 111.138 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.745 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.43 111.114 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 70.53 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 49' ' ' LEU . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 52.44 111.115 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 72.12 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 31' ' ' ILE . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 70.14 111.146 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.842 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 40.43 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.53 111.163 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 60.04 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 42.51 111.103 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 29' ' ' LEU . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.165 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 64.54 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.727 ' O ' HD22 ' A' ' 29' ' ' LEU . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.3 110.901 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 28' ' ' GLN . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 51.31 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.2 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 64.15 110.888 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 45.22 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 64.11 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 62.43 111.156 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.55 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 61.42 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.03 111.139 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 45.15 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' CD2' HG22 ' A' ' 10' ' ' VAL . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 42.02 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.745 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 62.44 110.823 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 24.31 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.43 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 74' ' ' TYR . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.33 111.132 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.2 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 45.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.13 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.497 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.126 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.995 0.426 . . . . 75.32 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.3 111.135 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 31' ' ' ILE . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.21 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.1 111.076 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.144 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' CE2' HG23 ' A' ' 57' ' ' ILE . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.886 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.22 111.156 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 51.51 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 71.41 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.05 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.141 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 10' ' ' VAL . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.098 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 70.31 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.21 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.902 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.34 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 25' ' ' VAL . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 31.33 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 51.44 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' ILE . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.12 111.142 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.645 HG22 HD12 ' A' ' 29' ' ' LEU . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 51.54 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 26' ' ' THR . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.23 110.916 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 14' ' ' ILE . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 65.12 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 54.03 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.099 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 60.45 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 44.41 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.52 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 60.14 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.894 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.52 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.921 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.2 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.2 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 74' ' ' TYR . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.51 111.162 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.52 110.897 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 63.1 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 33.14 111.1 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.939 0.4 . . . . 72.54 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.125 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.51 111.142 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.33 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 57' ' ' ILE . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.922 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.643 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 55.02 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 72' ' ' VAL . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 52.41 111.118 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.343 . . . . 65.5 111.157 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 62.55 111.137 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 53.13 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.87 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.651 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.31 111.092 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.43 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.092 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 31' ' ' ILE . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.11 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.14 110.859 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.811 HD13 HG12 ' A' ' 25' ' ' VAL . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.55 111.066 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.15 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.616 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.2 111.166 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.15 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.912 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.141 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.32 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.02 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.34 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.45 111.103 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 42' ' ' VAL . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.45 110.832 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.15 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 39' ' ' SER . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 43.2 111.1 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.02 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 70.2 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 53.55 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.678 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 61.24 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 73.54 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG23 ' CE2' ' A' ' 74' ' ' TYR . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.12 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 34.03 110.877 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 60.45 111.08 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.939 0.4 . . . . 72.13 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.11 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 31' ' ' ILE . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.145 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 62.32 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.44 111.105 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 43.44 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.14 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 57' ' ' ILE . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.921 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.45 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.45 111.081 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 72' ' ' VAL . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 70.35 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 51.34 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.794 0.33 . . . . 64.15 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.7 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.4 111.132 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.41 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 49' ' ' LEU . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.154 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.01 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 31' ' ' ILE . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.166 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.41 111.136 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 29' ' ' LEU . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 30.32 111.126 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 65.24 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 26' ' ' THR . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' CG ' HG22 ' A' ' 67' ' ' THR . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.911 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.23 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 62.3 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.918 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 62.03 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 64.21 111.085 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' VAL . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 72.43 111.14 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.14 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.03 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 52.25 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.773 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.55 110.892 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.7 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.34 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 72.42 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.773 HD12 ' HB3' ' A' ' 50' ' ' GLU . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 61.02 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 44.52 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.526 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.959 0.409 . . . . 64.1 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.11 111.111 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 31' ' ' ILE . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 53.01 111.114 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.53 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.54 111.07 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.54 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 70.03 111.127 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HG23 ' A' ' 57' ' ' ILE . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 63.22 110.879 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.126 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 70.42 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.13 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 54.2 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.1 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.788 0.327 . . . . 70.03 111.14 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.721 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.23 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 61.01 110.902 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.141 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.13 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 54.22 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.32 111.123 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 31' ' ' ILE . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.102 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.21 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.865 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.873 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.24 111.099 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 42.42 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 53.53 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.873 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.19 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.659 HG22 HD12 ' A' ' 29' ' ' LEU . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.108 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.659 HD12 HG22 ' A' ' 26' ' ' THR . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.178 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 52.03 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.104 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 64.15 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.35 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.04 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.627 HG13 ' CD ' ' A' ' 66' ' ' GLU . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 65.22 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.52 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.677 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 74.43 110.904 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.93 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.13 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.721 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.896 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 51.21 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.42 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 50' ' ' GLU . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.086 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.627 ' CD ' HG13 ' A' ' 42' ' ' VAL . 48.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.93 0.395 . . . . 71.2 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 111.16 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 72' ' ' VAL . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 62.32 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 52.14 111.093 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.41 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.152 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.918 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 70.5 111.147 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.798 0.333 . . . . 61.21 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 65.35 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.087 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.15 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.1 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 HD12 HG12 ' A' ' 10' ' ' VAL . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.112 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 51.21 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.812 HD13 HG12 ' A' ' 25' ' ' VAL . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.44 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 20' ' ' ILE . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.51 111.135 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.15 111.132 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 51.11 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.661 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.655 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.867 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.155 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.947 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.111 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.12 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 55.31 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 54.35 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 60.33 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.04 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.945 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.14 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.733 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.23 110.872 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.53 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 61.34 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 71.43 111.145 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.849 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.1 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.122 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.904 0.383 . . . . 73.31 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.655 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.137 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 54.2 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.33 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 43.21 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 61.21 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 64.04 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.32 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 70.4 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 63.4 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.721 0.296 . . . . 74.22 111.174 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 63.32 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.727 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.01 110.864 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.4 111.128 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.13 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.01 111.094 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 10' ' ' VAL . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.55 111.143 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 62.32 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.863 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 55.15 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.904 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 25' ' ' VAL . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.55 111.097 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 20' ' ' ILE . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.129 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 HD22 ' A' ' 29' ' ' LEU . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.151 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 42.21 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.913 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' GLN . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 71.31 110.957 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 64.15 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 54.54 110.914 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.117 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.13 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.43 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.01 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.41 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.887 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.1 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.727 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 61.13 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 31.53 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.24 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.085 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.15 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 53.53 111.142 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.926 0.393 . . . . 74.24 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.02 111.124 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 70.15 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.22 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 57' ' ' ILE . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.937 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.146 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 70.41 111.132 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.788 0.328 . . . . 74.05 111.15 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.146 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.122 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.1 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 64.01 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.534 HD12 HG12 ' A' ' 10' ' ' VAL . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.098 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.4 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.25 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.835 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.135 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.097 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 29' ' ' LEU . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.18 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.05 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 26' ' ' THR . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.903 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.22 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 35' ' ' LEU . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.147 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 31' ' ' ILE . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 53.35 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.12 111.06 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.04 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 46' ' ' VAL . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.41 111.133 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.099 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 63.11 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.943 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.41 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.742 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.86 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.41 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 74' ' ' TYR . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.53 111.146 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 63.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.45 111.141 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE1' HG22 ' A' ' 42' ' ' VAL . 13.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.921 0.391 . . . . 74.3 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 63.22 111.112 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 72' ' ' VAL . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.12 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.02 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.32 111.08 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.163 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.24 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.927 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 64.32 111.128 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 70.01 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 53.32 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.14 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 73.23 111.158 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.688 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 65.01 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 61.45 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 53.51 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 31' ' ' ILE . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.134 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.865 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 25' ' ' VAL . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 51.34 111.092 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HD12 ' A' ' 29' ' ' LEU . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.11 111.139 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 26' ' ' THR . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.899 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.42 111.147 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.45 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.067 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 52.23 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.42 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 73.3 111.102 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.04 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 64.42 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.667 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.938 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HB2' HD12 ' A' ' 57' ' ' ILE . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.911 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.688 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 63.45 110.845 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.54 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 52.5 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 50' ' ' GLU . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.123 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 54.31 110.877 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 60.31 111.132 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.949 0.404 . . . . 74.51 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.03 111.168 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 53.23 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.24 111.097 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.892 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.43 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 3' ' ' ARG . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.121 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.22 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.849 0.357 . . . . 52.33 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -88.94 173.56 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 75.33 111.152 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -59.7 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.877 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.41 -63.09 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.852 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -51.28 -47.7 62.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.53 110.847 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.74 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.9 t -61.85 -54.89 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.25 111.095 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.78 -46.98 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.42 -60.99 2.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -59.77 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.25 110.877 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.644 HG22 ' CD2' ' A' ' 49' ' ' LEU . 70.9 t -49.71 -47.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 74.35 111.192 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.65 -34.5 77.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 52.21 111.083 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -74.35 -61.61 1.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 42.13 110.926 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.6 -36.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.25 111.145 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 31' ' ' ILE . 56.1 mt -74.27 -48.82 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.34 111.112 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -67.39 -13.72 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -94.85 -42.19 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 75.3 110.867 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.24 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.871 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 53.2 m-85 -97.11 -173.45 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.911 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.61 22.53 13.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 43.35 110.887 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 HG12 ' A' ' 25' ' ' VAL . 16.9 tt -81.87 159.87 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.13 111.141 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.22 124.46 34.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.888 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.71 -18.64 32.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 64.51 111.072 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.08 -29.51 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 62.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -79.83 -31.68 40.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.937 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.711 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -46.23 105.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.151 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.647 HG22 HD12 ' A' ' 29' ' ' LEU . 6.2 t -123.55 162.77 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 64.42 111.155 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -63.39 -17.65 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.87 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -98.39 15.47 24.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 54.53 110.856 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 26' ' ' THR . 18.3 mt -135.57 75.47 1.56 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.243 -0.435 . . . . 60.21 110.941 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.428 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.08 126.05 23.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.856 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.753 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -67.66 -43.75 86.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 73.43 111.123 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.57 -44.21 26.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.922 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -87.4 -57.59 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.897 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -45.91 -57.33 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 72.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.637 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.1 mm? -80.56 -18.81 47.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.916 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 66.66 28.0 9.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.863 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.49 143.31 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 63.21 111.098 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 173.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.05 110.842 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.63 -49.66 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 75.03 110.857 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.5 mm -50.17 -45.19 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.152 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.8 -36.22 36.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 71.22 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.1 t -54.55 -38.24 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 55.12 111.129 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.5 -25.28 67.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.23 110.891 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -86.04 -51.34 6.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 75.14 110.855 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -58.61 -42.65 88.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.893 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.8 p -65.52 -21.65 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.44 111.103 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.32 -56.14 4.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.897 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.83 -46.75 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.908 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.644 ' CD2' HG22 ' A' ' 10' ' ' VAL . 8.2 mt -62.74 -37.72 87.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 54.3 110.918 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.655 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -72.31 -28.34 63.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 62.54 110.928 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -82.86 -60.97 2.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.802 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -50.52 -60.04 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.884 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.74 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -70.45 -27.81 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 56.5 5.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 54.31 112.439 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 HG21 HD12 ' A' ' 75' ' ' ILE . 9.3 t -138.5 146.37 41.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.698 0.285 . . . . 74.12 111.153 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -85.57 123.13 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 55.11 110.885 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.655 HD12 ' HB2' ' A' ' 50' ' ' GLU . 8.5 mt -106.94 119.56 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 75.31 111.1 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -54.59 163.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 65.22 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -80.98 -29.01 35.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.822 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.08 -61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -28.85 35.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 54.24 110.859 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.35 -18.25 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.164 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.5 -23.21 26.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.851 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.95 -43.73 7.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.945 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.574 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -74.21 61.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.13 111.144 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -122.06 15.05 10.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.15 110.936 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.428 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -114.09 163.05 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.5 111.156 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.7 t -49.16 -49.01 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 63.33 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.1 -42.68 8.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 73.32 112.518 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.574 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.19 -17.26 39.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 65.1 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.22 -65.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 72.42 111.105 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.74 -40.71 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.05 -24.45 64.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -89.31 -53.86 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.922 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.634 HG21 ' CD2' ' A' ' 53' ' ' PHE . 38.7 mm -57.51 -42.7 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.163 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.7 -60.73 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 70.43 111.127 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.3 t -51.7 -29.69 19.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 55.43 110.869 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -83.57 -36.93 23.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 74.34 110.864 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.808 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.839 0.352 . . . . 64.3 110.824 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -89.06 172.21 9.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 75.13 111.18 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -57.77 -34.88 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.842 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -62.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.55 110.89 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -51.01 -43.3 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.872 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.755 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.6 t -62.44 -53.53 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.18 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.57 -46.82 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -60.45 -60.83 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 62.51 110.939 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -60.26 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.906 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.676 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.64 -45.86 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 52.34 111.099 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.36 83.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 62.24 111.089 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -61.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 72.54 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -50.5 -39.19 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.54 111.162 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.532 HD12 HG12 ' A' ' 10' ' ' VAL . 57.2 mt -72.78 -47.64 48.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.03 111.121 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.3 p -65.82 -16.63 64.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.11 110.905 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -94.04 -45.18 7.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 62.23 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -67.77 -47.16 69.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.882 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 84.6 m-85 -95.42 -176.45 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.43 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.14 21.89 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 64.14 110.895 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -82.12 160.07 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.5 111.142 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 25' ' ' VAL . 2.8 mt-10 -89.43 124.63 34.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.32 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.02 21.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.125 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.21 -30.04 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.876 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.96 -32.14 34.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.889 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 20' ' ' ILE . 6.1 m -45.92 107.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.13 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.481 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -130.37 165.41 22.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.22 111.155 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -63.47 -15.89 59.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.867 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 29' ' ' LEU . 33.3 mt-30 -97.54 15.12 24.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 62.31 110.878 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.1 mp -134.21 76.16 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 51.43 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.652 ' CG ' HG22 ' A' ' 67' ' ' THR . 43.6 t-20 -60.38 118.17 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 61.53 110.885 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.3 mp -61.39 -36.11 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.169 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -52.83 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.901 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -86.73 -57.14 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 64.42 110.823 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -45.25 -56.31 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.873 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -82.91 -17.09 44.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.917 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.7 t30 66.14 25.44 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.873 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.27 145.62 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.138 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.6 168.9 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -78.93 -49.87 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.88 -43.62 25.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 72.43 111.097 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -50.89 -35.92 35.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.3 t -53.88 -37.88 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 61.42 111.121 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -26.72 68.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.03 110.871 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -86.11 -52.45 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 75.04 110.845 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -56.82 -37.47 71.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.2 p -70.34 -21.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.13 111.165 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -49.89 9.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -57.49 -42.27 82.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 73.01 110.882 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.676 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -66.58 -57.57 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.958 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.71 -20.78 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.893 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -84.46 -63.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -55.02 23.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 65.3 110.86 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.755 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.1 m-85 -65.42 -27.53 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.847 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.24 56.48 5.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 71.4 112.452 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -139.64 166.6 24.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.763 0.316 . . . . 64.04 111.144 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -100.22 121.72 41.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.891 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 50' ' ' GLU . 61.1 mt -105.93 115.9 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.53 111.119 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 7.4 m -54.99 162.58 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.885 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 -19.7 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 71.43 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.78 -61.78 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.2 m-20 -57.87 -23.35 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -51.43 -22.52 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.142 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -87.93 -31.37 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -102.04 34.6 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 64.3 110.945 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.45 36.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.123 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -104.82 -4.93 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.652 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -93.44 160.97 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.14 111.157 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 72' ' ' VAL . 29.2 t -50.03 -47.48 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 73.4 111.118 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.4 6.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 51.43 112.503 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.01 -17.64 27.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 73.33 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.06 -66.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.13 111.064 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -55.59 -39.21 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 54.32 111.156 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.57 -25.2 68.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.412 ' CG ' HG21 ' A' ' 65' ' ' ILE . 71.4 t80 -89.28 -52.8 4.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.919 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -57.76 -42.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.53 111.181 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.83 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.166 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.2 t -51.03 -30.58 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.14 -34.62 24.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 65.31 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 54.12 110.857 -179.827 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 73.42 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 t -88.7 172.83 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 45.42 111.143 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -58.7 -35.14 72.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.894 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -62.73 1.39 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.9 -45.19 60.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.899 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.749 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.0 t -61.94 -52.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 63.22 111.13 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tt -53.51 -46.37 70.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 61.23 110.934 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.27 -60.95 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.31 -60.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.89 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.9 t -49.61 -45.95 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 75.14 111.112 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.3 83.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.091 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.18 -61.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.13 110.926 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -51.11 -38.98 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 70.02 111.141 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.548 HD12 HG12 ' A' ' 10' ' ' VAL . 52.2 mt -72.38 -46.6 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 74.03 111.122 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.9 t -67.2 -16.81 64.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.1 110.879 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -95.47 -44.41 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.909 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -68.04 -47.24 68.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 60.22 110.869 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -96.76 -175.68 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.853 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.7 21.75 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 33.55 110.86 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.781 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -81.95 161.0 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 73.05 111.09 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.32 125.68 35.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.34 -19.59 23.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.03 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.89 -28.67 14.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 64.41 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -80.19 -32.02 38.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 71.32 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.781 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -46.52 105.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 62.22 111.119 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.613 HG22 HD12 ' A' ' 29' ' ' LEU . 9.5 t -126.44 162.84 24.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 51.31 111.129 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -63.45 -16.73 61.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 62.15 110.854 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.6 15.89 23.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.934 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD12 HG22 ' A' ' 26' ' ' THR . 18.1 mt -135.63 75.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 51.43 110.9 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.34 126.17 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.863 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -68.3 -43.35 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 73.04 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -47.65 -43.98 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.44 110.844 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -87.64 -57.3 3.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 64.22 110.916 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -46.2 -57.27 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.567 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.82 -18.47 47.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 62.34 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.68 27.22 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 62.42 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.02 147.0 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.23 111.072 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -63.89 162.31 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 61.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 -50.9 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.896 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.75 -40.44 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 72.41 111.13 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -35.8 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.872 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG13 ' CD ' ' A' ' 66' ' ' GLU . 90.2 t -53.18 -37.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 62.03 111.15 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -26.98 68.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.02 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.02 -52.69 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -56.44 -35.65 68.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 75.15 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.4 p -73.77 -21.48 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 65.53 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.46 -44.04 18.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.67 -39.56 94.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.5 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.0 mt -70.87 -53.2 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.905 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -61.4 -23.25 65.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.85 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.54 -63.07 1.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.85 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -57.17 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.905 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.749 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.8 m-85 -65.53 -27.57 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.845 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.04 56.49 5.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 70.2 112.489 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 t -139.54 164.05 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.78 0.324 . . . . 74.11 111.125 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -97.0 120.71 37.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.876 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.4 mt -103.89 113.72 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 75.13 111.101 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 75.1 m -55.03 163.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 51.41 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -81.61 -25.54 35.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.847 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -79.53 -61.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.908 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 6.4 m-20 -57.36 -23.14 47.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.33 110.852 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.56 -23.44 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.24 111.095 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -87.58 -32.74 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 71.23 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.02 34.48 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.13 110.877 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 HG21 ' CG ' ' A' ' 74' ' ' TYR . 1.2 pp -147.33 35.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 71.11 111.145 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' CD ' HG13 ' A' ' 42' ' ' VAL . 39.4 mm-40 -105.79 -1.33 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.53 110.854 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -97.86 160.59 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 54.2 111.158 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 72' ' ' VAL . 45.0 t -48.98 -48.27 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 61.22 111.16 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.73 -44.59 7.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 52.15 112.496 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.58 -17.44 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 63.33 111.069 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 72.41 111.061 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.0 p -55.87 -40.09 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.55 111.15 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.87 -24.09 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.426 ' CG ' HG21 ' A' ' 65' ' ' ILE . 72.1 t80 -89.49 -53.29 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.01 110.949 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.02 -42.51 82.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 61.02 111.155 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.02 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.2 111.074 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.1 t -51.33 -30.15 17.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.882 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -84.72 -33.01 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.31 110.874 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.843 0.354 . . . . 73.22 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -88.12 174.6 8.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 50.42 111.155 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -59.5 -38.15 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.883 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.47 -62.81 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 62.14 110.873 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -50.44 -47.92 56.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 71.45 110.884 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.4 t -61.18 -54.49 34.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 60.42 111.133 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.33 -45.57 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.76 -60.79 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.905 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -59.81 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.88 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -49.53 -46.63 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 70.14 111.127 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.47 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 52.2 111.051 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.64 -61.75 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 71.25 110.873 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.7 mt -51.67 -37.06 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.25 111.091 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 10' ' ' VAL . 48.9 mt -73.67 -52.51 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 72.31 111.094 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -62.24 -18.08 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -94.7 -45.46 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 71.41 110.906 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -67.99 -47.21 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.834 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.0 m-85 -95.2 -175.6 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.878 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -102.92 21.61 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.856 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.863 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.04 160.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.129 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.2 mm-40 -89.63 124.83 34.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 75.12 110.867 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.19 -19.32 20.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 72.45 111.105 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.46 -30.11 14.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.873 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -80.26 -32.22 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.32 110.907 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.863 HG12 HD13 ' A' ' 20' ' ' ILE . 5.9 m -45.71 109.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 73.23 111.101 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.533 HG22 HD12 ' A' ' 29' ' ' LEU . 8.2 t -132.24 162.76 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 62.44 111.156 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.92 -17.54 61.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 72.21 110.87 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -96.14 14.57 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.898 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 26' ' ' THR . 17.6 mt -135.75 75.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.43 125.96 23.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.878 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HD23 ' A' ' 35' ' ' LEU . 4.5 mp -67.68 -43.74 86.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 43.4 111.117 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -47.28 -44.23 22.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.897 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.66 -57.66 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.9 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -45.84 -57.53 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.872 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.51 -18.88 47.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.898 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 66.51 27.87 9.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.31 110.895 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.86 144.39 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.01 111.112 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.39 175.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 65.54 110.871 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.9 m -79.75 -50.58 10.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.906 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.57 -44.56 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 72.13 111.156 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -50.57 -36.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 73.54 110.83 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 46' ' ' VAL . 59.0 t -54.75 -39.11 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 53.31 111.094 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.91 -24.59 67.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.35 110.892 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -85.97 -52.32 5.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.885 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -57.5 -43.81 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 71.01 110.88 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.1 p -64.97 -21.47 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 65.05 111.112 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp -81.37 -52.19 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.918 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.6 -40.71 79.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.889 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.595 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.6 mt -68.04 -57.81 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 73.41 110.903 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.56 -21.7 60.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 64.1 110.888 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -84.86 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.22 110.835 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -51.1 -56.21 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.923 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 8.2 m-85 -65.43 -27.54 68.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.42 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.85 56.51 5.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 62.34 112.47 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 t -138.65 162.59 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 74.01 111.171 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.33 119.32 35.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.887 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 74' ' ' TYR . 43.4 mt -107.69 119.65 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.22 111.128 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 74.3 m -54.94 163.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.83 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -27.46 34.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 35.35 110.827 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -82.72 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 61.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.4 -31.16 43.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.884 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.71 -17.91 17.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.055 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -86.67 -22.05 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.893 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -97.68 -43.76 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 61.45 110.916 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.59 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.74 62.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 71.44 111.125 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' HG22 ' A' ' 42' ' ' VAL . 7.4 mt-10 -119.2 17.78 13.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 70.23 110.872 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -115.0 161.9 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.144 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.1 t -48.67 -49.47 14.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 72.51 111.16 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.86 -42.71 8.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.79 -0.719 . . . . 71.35 112.472 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.74 -17.54 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.321 . . . . 74.12 111.094 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.05 -66.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 71.41 111.115 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 p -55.77 -40.79 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 71.33 111.153 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.74 -24.52 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.838 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 57' ' ' ILE . 65.2 t80 -89.28 -53.98 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.864 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.625 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.0 mm -57.84 -43.59 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 75.35 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 72' ' ' VAL . 97.9 t -68.54 -60.93 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 62.31 111.138 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.1 t -51.67 -29.91 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.874 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -81.18 -39.72 25.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 62.25 110.817 -179.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.886 0.374 . . . . 50.24 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t -88.39 172.58 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 52.02 111.113 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -58.12 -35.35 71.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 63.42 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.78 -62.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -50.51 -44.51 56.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 75.03 110.881 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 91.4 t -61.89 -53.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.156 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -54.57 -45.16 73.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 54.11 110.946 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -60.32 -60.76 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.53 110.953 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.76 -60.23 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.9 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.6 t -50.12 -45.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 44.01 111.107 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.79 91.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 64.44 111.091 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -72.17 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.33 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -49.95 -38.16 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.146 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 31' ' ' ILE . 59.1 mt -75.62 -40.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.173 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 92.0 p -68.43 -22.29 64.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 53.13 110.85 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.28 -45.49 8.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 65.42 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -67.93 -47.16 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.849 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.9 m-85 -94.84 -180.0 5.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.888 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -99.13 18.16 18.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 45.31 110.835 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.785 HD13 HG12 ' A' ' 25' ' ' VAL . 16.8 tt -82.1 159.95 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.51 111.111 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.77 128.92 36.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.53 -18.5 29.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 62.35 111.07 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.26 -27.36 15.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 72.53 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -82.34 -32.45 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.927 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.785 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.89 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 29' ' ' LEU . 8.8 t -131.15 164.99 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 75.44 111.15 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -64.03 -15.58 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 72.2 110.891 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 14.2 mp0 -96.73 12.34 32.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.906 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.8 mp -135.38 76.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 70.11 110.885 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.5 t30 -54.05 120.88 7.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 51.52 110.858 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 14' ' ' ILE . 3.0 mp -68.09 -42.41 85.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 64.01 111.139 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -48.08 -44.77 31.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 70.21 110.93 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -87.3 -55.85 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.87 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -46.76 -57.45 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.82 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.2 -17.91 48.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 71.45 110.945 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.76 31.35 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 42.25 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.32 135.61 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.062 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -179.54 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.832 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.4 p -83.67 -51.27 7.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.804 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.87 -45.76 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 64.13 111.14 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -34.67 29.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 73.32 110.873 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 36.2 t -56.94 -38.88 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 75.2 111.16 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -25.22 67.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.881 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -86.3 -52.45 5.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.901 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -57.29 -43.63 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.05 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.4 p -64.58 -21.56 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 71.55 111.129 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.5 -52.77 6.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.92 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.85 -40.37 75.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.842 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.7 mt -67.79 -59.03 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -21.91 58.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 60.31 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -84.69 -63.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.838 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -50.59 -56.99 9.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.41 -27.54 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 62.14 110.896 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.64 56.53 5.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 62.33 112.5 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -138.18 163.75 30.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 75.41 111.172 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.52 119.98 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.884 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 62' ' ' ALA . 30.9 mt -108.71 121.34 61.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.16 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.86 170.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 73.12 110.862 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.88 -50.14 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 55.12 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.34 -47.14 65.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.861 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -46.01 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.854 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.48 -16.85 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.54 111.091 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -16.42 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.838 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.47 -46.13 3.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 54.51 110.913 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.523 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -71.26 72.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 65.14 111.162 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -119.21 -9.42 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 65.11 110.89 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.499 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.67 157.77 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.19 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 31' ' ' ILE . 40.2 t -49.0 -44.72 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.111 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.94 -46.35 7.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 61.14 112.52 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.73 -17.81 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 62.13 111.114 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.85 -66.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 63.43 111.131 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -55.13 -38.74 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.41 111.129 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.47 -25.5 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.881 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE2' HG23 ' A' ' 57' ' ' ILE . 72.8 t80 -89.29 -52.42 5.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.917 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.4 mm -58.02 -41.9 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.111 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.23 -60.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 64.31 111.153 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -51.49 -30.09 18.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.858 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -85.86 -33.19 21.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.906 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.869 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 73.41 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -87.81 174.63 8.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 64.25 111.159 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -59.09 -38.3 79.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 73.51 110.854 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.7 -62.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.858 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -47.14 53.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.906 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.1 t -62.16 -55.18 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.05 111.127 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -45.55 65.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.07 -60.7 3.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.934 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.04 -59.83 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 73.02 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 49' ' ' LEU . 73.7 t -49.85 -46.11 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.45 111.132 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.75 81.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 53.02 111.115 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -73.86 -61.45 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.936 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -51.26 -37.62 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.51 111.148 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 10' ' ' VAL . 52.8 mt -73.78 -47.96 41.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.34 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 87.2 p -65.7 -17.37 64.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 60.44 110.873 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -96.24 -45.69 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 52.3 110.879 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -68.07 -47.27 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.878 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 95.3 m-85 -95.44 -179.81 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 63.51 110.871 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -99.67 20.83 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.859 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.847 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.06 160.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.072 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -87.59 125.17 34.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 74.34 110.912 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -57.24 -19.95 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -29.58 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 61.53 110.884 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -80.12 -31.6 39.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.923 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.847 HG12 HD13 ' A' ' 20' ' ' ILE . 4.1 m -46.97 105.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.141 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.585 HG22 HD12 ' A' ' 29' ' ' LEU . 9.8 t -128.45 163.59 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.31 111.13 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -63.01 -16.85 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.885 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.57 14.62 22.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 54.22 110.936 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG22 ' A' ' 26' ' ' THR . 20.3 mt -135.8 75.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.665 ' CG ' HG22 ' A' ' 67' ' ' THR . 44.3 t-20 -56.66 117.95 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.54 110.863 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.7 mp -60.37 -37.03 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 61.24 111.141 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -46.57 -54.07 10.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 70.55 110.897 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.1 -50.88 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -46.24 -56.65 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 20' ' ' ILE . 4.4 mm? -86.38 -15.98 38.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 66.83 29.02 8.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 51.15 110.869 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.511 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.43 138.55 7.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 63.11 111.126 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 167.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 63.23 110.86 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.63 ' O ' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -74.29 -57.82 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 53.34 110.829 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.8 mm -51.55 -30.52 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 75.23 111.075 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -54.81 -40.49 69.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.841 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' SER . 3.9 p -53.9 -28.06 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 74.31 111.124 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -30.27 70.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 73.53 110.869 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.18 -48.58 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.879 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -59.2 -39.43 82.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 72.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.03 -21.7 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 74.15 111.123 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 tp -81.3 -49.7 10.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.916 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.87 -40.88 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -69.01 -55.73 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.55 110.91 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.637 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -60.41 -22.84 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.897 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -84.72 -62.61 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 110.846 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.63 -58.17 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.865 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.4 m-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 72.43 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.1 56.31 5.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 73.21 112.48 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -138.56 165.35 27.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.746 0.308 . . . . 71.34 111.117 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -100.7 123.14 44.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.862 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 50' ' ' GLU . 71.7 mt -108.99 121.22 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.112 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 11.0 m -54.7 162.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -81.36 -25.91 35.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -85.63 -61.37 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 70.31 110.896 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -53.14 -30.9 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 60.55 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.67 -18.04 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 70.24 111.09 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -86.67 -21.68 26.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 65.32 110.906 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -98.04 -43.68 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.87 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.595 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.91 61.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 50.23 111.107 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -119.86 25.34 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 53.51 110.902 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.665 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -124.11 162.64 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.22 111.163 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -49.17 -48.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.2 111.158 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.18 -43.59 8.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 74.13 112.509 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.85 -17.42 36.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.34 . . . . 61.1 111.149 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.17 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.095 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.4 -41.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 72.51 111.063 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.02 -25.02 64.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.849 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -89.41 -54.19 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.91 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.627 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.9 mm -57.78 -42.6 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 62.33 111.143 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -69.4 -60.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.136 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -51.81 -29.55 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -83.1 -38.59 22.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 61.25 110.872 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tmm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.848 0.356 . . . . 72.03 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.9 t -89.79 171.83 9.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 73.23 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -57.59 -33.79 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.869 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.27 -62.71 1.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -50.95 -42.57 59.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.77 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.2 t -63.1 -52.71 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 53.22 111.151 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.6 -46.89 70.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 55.05 110.892 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.34 -60.87 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.925 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -60.12 2.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.941 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 49' ' ' LEU . 79.0 t -50.03 -45.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.21 111.104 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 35.11 111.077 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -71.77 -61.03 1.93 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 63.31 110.912 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -50.3 -39.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 61.53 111.114 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 31' ' ' ILE . 58.9 mt -73.35 -41.42 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.53 111.16 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.9 t -70.56 -16.74 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 42.42 110.863 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.77 -45.61 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 65.02 110.874 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -67.81 -47.14 69.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 52.33 110.894 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 92.7 m-85 -95.22 179.62 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.86 19.41 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.767 HD13 HG12 ' A' ' 25' ' ' VAL . 15.3 tt -82.15 160.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.094 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.44 130.08 38.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.5 110.933 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 -18.28 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.065 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -95.58 -28.75 14.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.867 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -80.35 -32.58 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.919 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.767 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -47.47 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.452 . . . . 61.51 111.129 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.638 HG22 HD12 ' A' ' 29' ' ' LEU . 8.8 t -125.33 162.45 24.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.143 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -63.26 -16.21 59.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.901 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -99.78 17.53 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.92 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.638 HD12 HG22 ' A' ' 26' ' ' THR . 17.7 mt -135.63 75.66 1.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.957 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.676 ' CG ' HG22 ' A' ' 67' ' ' THR . 46.0 t-20 -58.37 119.95 7.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.52 110.925 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -63.62 -36.1 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.155 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -48.29 -52.07 23.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 70.24 110.886 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.46 -49.68 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.864 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -47.6 -55.97 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 50.43 110.852 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.67 -16.04 37.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.74 28.36 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.11 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.48 144.5 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.047 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.92 170.86 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.865 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -77.75 -48.92 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.01 110.886 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.0 mm -50.67 -44.81 26.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.504 . . . . 64.31 111.117 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.72 -35.77 32.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 71.55 110.826 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 46' ' ' VAL . 62.1 t -53.66 -39.61 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 73.51 111.135 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.6 tpt -61.22 -26.81 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 64.21 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -86.42 -52.32 5.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 74.02 110.891 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -55.93 -33.62 64.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 71.12 110.868 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.6 p -78.12 -21.5 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -37.04 28.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.928 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -70.45 -38.82 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.919 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' CD2' HG22 ' A' ' 10' ' ' VAL . 12.3 mt -71.47 -50.32 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 71.44 110.894 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.473 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -63.08 -26.95 69.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.34 110.849 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.44 -59.05 2.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 63.22 110.877 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -51.27 -59.57 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.876 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.77 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.8 m-85 -66.0 -27.42 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.51 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.39 56.37 5.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 73.24 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 t -141.43 162.27 35.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 50.42 111.101 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 127.27 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 53.24 110.92 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 74' ' ' TYR . 81.9 mt -110.96 118.5 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 63.14 111.141 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 168.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.22 110.843 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 16.2 m-20 -81.2 -48.61 11.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.846 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.82 -49.12 74.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.895 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' HG12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -59.95 -29.41 68.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.874 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . -51.5 -22.43 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 71.41 111.087 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -87.7 -31.94 19.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 34.4 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.883 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.479 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -147.88 36.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 73.12 111.162 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -108.9 21.1 17.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.91 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.676 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -122.35 162.36 21.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.147 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 72' ' ' VAL . 38.6 t -48.98 -50.23 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 53.31 111.142 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.97 -44.02 7.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 73.4 112.483 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.67 -17.95 26.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 54.23 111.094 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.09 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.4 p -55.59 -41.76 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 75.22 111.152 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.93 -24.93 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.858 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 57' ' ' ILE . 70.1 t80 -89.54 -53.37 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.927 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.4 mm -58.01 -41.33 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.24 111.19 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.3 -60.83 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.5 . . . . 64.51 111.151 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -51.37 -30.37 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 63.11 110.882 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -85.68 -32.5 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 45.52 110.866 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.802 0.334 . . . . 72.21 110.921 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -91.4 173.55 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 61.35 111.115 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -43.32 73.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.887 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.85 -60.34 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.14 110.924 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -49.92 -41.24 45.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 75.33 110.856 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.803 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 87.4 t -60.66 -52.86 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 71.41 111.169 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.01 -45.15 75.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 63.41 110.915 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -61.41 -61.64 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -54.92 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.855 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 14' ' ' ILE . 23.6 t -49.45 -55.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 74.14 111.156 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.71 87.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.11 111.054 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -61.67 -61.77 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.938 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.24 -29.27 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.129 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.524 HD12 HG12 ' A' ' 10' ' ' VAL . 33.9 mt -75.33 -44.48 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.12 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.519 ' CB ' ' HB2' ' A' ' 22' ' ' ALA . 1.5 p -68.25 -26.49 65.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 60.35 110.851 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.04 -44.46 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 64.03 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -68.43 -47.8 66.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.869 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.01 -178.41 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.893 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -97.21 15.24 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.661 HD12 HD21 ' A' ' 35' ' ' LEU . 18.1 tt -82.11 158.5 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.13 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.44 127.82 34.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 55.4 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HB2' ' CB ' ' A' ' 15' ' ' SER . . . -53.81 -22.81 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.02 111.149 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 -26.87 16.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.852 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -79.91 -32.95 40.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 25' ' ' VAL . 5.3 p -56.82 117.03 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 73.12 111.133 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.637 HG23 ' H ' ' A' ' 28' ' ' GLN . 14.8 t -148.15 174.27 12.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.135 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -64.33 -21.73 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.858 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.637 ' H ' HG23 ' A' ' 26' ' ' THR . 27.0 tt0 -86.36 7.64 24.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.945 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 28' ' ' GLN . 4.1 mp -136.57 76.41 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.942 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 40.4 t-20 -54.74 111.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.879 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.472 HG23 HD23 ' A' ' 35' ' ' LEU . 3.3 mp -51.49 -37.57 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.3 111.15 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -60.28 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.918 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -87.04 -49.37 7.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.858 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -45.31 -56.19 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.661 HD21 HD12 ' A' ' 20' ' ' ILE . 4.3 mm? -89.99 -12.63 38.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 54.02 110.94 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.39 27.3 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 53.44 110.879 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.02 141.69 5.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.107 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.52 178.68 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.02 -54.56 4.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 63.34 110.885 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.2 mm -51.25 -41.68 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 43.33 111.15 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.75 -36.43 36.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.874 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 46' ' ' VAL . 98.6 t -53.23 -38.27 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.33 111.158 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -27.23 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 53.04 110.906 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.86 -54.75 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.88 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -54.43 -39.67 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.6 p -67.78 -21.69 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 71.13 111.133 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.96 -52.08 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.91 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.39 -37.58 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.845 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.524 ' CD2' HG22 ' A' ' 10' ' ' VAL . 15.5 mt -69.93 -60.24 2.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.932 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.418 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.6 pt-20 -58.35 -22.88 55.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.93 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 52.21 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.77 -53.34 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.15 110.921 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.803 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 9.7 m-85 -65.33 -23.67 67.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 72.4 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.72 56.34 5.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 74.24 112.537 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.554 HG21 HG23 ' A' ' 75' ' ' ILE . 14.8 t -147.58 169.79 18.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 71.34 111.166 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.83 137.13 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.25 110.839 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 74' ' ' TYR . 65.0 mt -120.54 119.78 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.23 111.123 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.52 166.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.846 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.84 -23.64 36.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 53.11 110.889 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -80.19 -61.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.859 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.2 m-20 -57.05 -23.16 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 75.01 110.83 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.34 -23.61 2.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 71.01 111.084 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -32.53 19.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.898 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -100.05 34.6 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.881 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 61' ' ' ASP . 1.2 pp -146.85 34.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.22 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.62 -10.5 20.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.909 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -91.46 157.87 16.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 60.0 111.149 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.558 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.2 t -49.8 -46.64 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.117 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.9 -47.95 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 61.24 112.504 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.08 -17.86 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 74.11 111.101 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.74 -66.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.101 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.5 p -54.97 -41.23 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 51.21 111.146 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.93 -24.7 67.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.857 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 57' ' ' ILE . 66.0 t80 -89.54 -53.4 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.917 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.2 mm -58.18 -43.12 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.155 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.19 -60.6 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 55.12 111.151 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -51.74 -29.82 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 64.31 110.849 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -83.63 -36.95 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.14 110.9 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.87 -179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.851 0.358 . . . . 75.25 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 t -88.67 174.15 8.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 74.25 111.165 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -37.89 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 75.53 110.891 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.76 -62.76 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.03 110.867 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.34 -46.81 55.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.05 110.837 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.86 -54.05 39.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.088 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -53.94 -45.04 71.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -60.29 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.912 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.8 -60.04 2.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.893 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.673 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.0 t -50.01 -45.72 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.21 111.148 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.95 81.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 63.21 111.072 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -74.18 -61.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -50.85 -37.25 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 55.11 111.146 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 10' ' ' VAL . 55.2 mt -74.73 -47.42 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.41 111.126 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -64.67 -19.86 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.866 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.02 -45.54 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -68.06 -47.07 69.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 52.34 110.87 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.9 m-85 -95.59 -177.65 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.881 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.89 20.58 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 61.33 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.786 HD13 HG12 ' A' ' 25' ' ' VAL . 16.3 tt -82.09 160.52 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 52.14 111.144 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.92 126.26 35.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.898 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.71 21.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.113 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.79 -28.53 14.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 75.12 110.846 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -80.16 -32.23 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.918 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 20' ' ' ILE . 2.6 m -46.57 105.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.165 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.538 HG22 HD12 ' A' ' 29' ' ' LEU . 10.1 t -126.58 162.54 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 63.44 111.1 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -63.43 -16.39 60.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -98.21 15.55 24.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 HG22 ' A' ' 26' ' ' THR . 19.6 mt -135.62 75.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 65.45 110.963 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.408 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -55.59 126.22 24.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.869 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 35' ' ' LEU . 4.1 mp -67.91 -43.66 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.44 111.129 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -44.0 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.906 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -87.69 -57.49 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.894 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -45.92 -57.52 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 55.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 31' ' ' ILE . 4.3 mm? -80.56 -18.75 47.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 71.24 110.921 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.41 28.14 9.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.41 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -47.63 144.86 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.22 111.075 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -64.63 178.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.891 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.6 -51.64 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.88 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.51 -44.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.152 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.71 -36.18 34.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.845 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 46' ' ' VAL . 51.7 t -54.86 -38.78 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 tpt -62.46 -24.14 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.901 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.13 -51.69 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.895 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -58.16 -42.73 86.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.4 p -65.88 -21.35 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 53.42 111.106 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 -52.07 7.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.879 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -57.1 -40.85 77.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.915 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.673 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.8 mt -67.73 -58.28 4.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.914 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.28 -21.84 60.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 64.42 110.881 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -84.65 -63.62 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 62.3 110.873 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.82 -56.94 9.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.41 110.874 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.714 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.9 m-85 -65.5 -27.56 68.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.907 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.8 56.45 5.91 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 44.44 112.52 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -137.4 163.08 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 72.54 111.16 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -98.23 118.34 34.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.907 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG23 ' CE2' ' A' ' 74' ' ' TYR . 35.0 mt -107.44 120.36 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 75.11 111.114 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.76 170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.881 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -80.86 -49.74 10.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.9 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -68.44 -47.41 67.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.888 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -43.45 84.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.902 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.0 -17.39 17.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 51.44 111.065 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.07 -19.2 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.92 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -102.72 -45.06 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.877 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.573 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -72.57 67.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 72.42 111.082 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' OE1' HG13 ' A' ' 42' ' ' VAL . 4.4 mt-10 -120.52 18.27 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.905 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.3 OUTLIER -114.81 160.92 18.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 73.13 111.174 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.72 -47.92 15.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 60.4 111.105 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.25 -43.29 8.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.455 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.82 -17.61 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 63.54 111.123 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.92 -66.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.06 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.6 p -55.31 -40.17 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 43.45 111.117 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.49 -25.66 67.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.879 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.623 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.6 t80 -89.31 -53.34 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 75.43 110.939 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.8 mm -58.1 -42.33 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 61.23 111.125 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.6 t -70.05 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.31 111.131 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -51.45 -30.17 18.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 44.13 110.884 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -85.05 -32.66 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 75.01 110.862 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.839 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 73.01 110.904 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -89.75 173.82 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.55 111.137 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -59.04 -37.13 76.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 51.24 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.24 -62.88 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.878 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.403 ' HG2' HG22 ' A' ' 2' ' ' THR . 15.5 mm-40 -50.59 -45.79 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.864 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 92.0 t -63.1 -54.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.113 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -53.71 -46.75 70.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 60.13 110.922 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -60.38 -60.51 3.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 54.42 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -59.96 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.891 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.3 t -50.57 -46.04 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.3 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.47 83.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.111 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -73.92 -60.92 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 72.21 110.886 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.2 mt -49.0 -37.58 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 75.14 111.143 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 31' ' ' ILE . 74.3 mt -76.8 -43.56 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.104 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.4 p -65.19 -23.23 67.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 64.5 110.885 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.1 -42.76 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 72.54 110.83 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -67.93 -47.07 69.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 72.5 110.87 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 79.3 m-85 -95.89 -174.27 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.25 110.858 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.55 19.69 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 74.24 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.844 HD13 HG12 ' A' ' 25' ' ' VAL . 15.6 tt -82.02 160.76 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.35 111.171 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.02 126.4 37.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.946 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.49 -19.22 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 42.02 111.126 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.07 -29.31 14.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 62.13 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -80.26 -32.38 38.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.873 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.844 HG12 HD13 ' A' ' 20' ' ' ILE . 4.6 m -44.81 112.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.097 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.604 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -134.09 162.41 32.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.03 111.123 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.08 -18.04 62.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -97.8 16.0 22.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.3 110.907 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 HG22 ' A' ' 26' ' ' THR . 17.4 mt -135.64 75.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 70.34 110.887 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.5 t-20 -56.18 125.87 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.875 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.788 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -70.51 -46.94 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 70.21 111.097 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.5 -40.21 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.919 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.07 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 50.42 110.852 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -47.67 -57.03 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.07 -16.49 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t30 67.28 31.55 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.34 110.932 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.21 140.23 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.11 111.08 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.89 172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.832 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.01 -49.74 12.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 60.42 110.869 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.9 mm -50.68 -44.48 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 44.14 111.14 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -35.74 35.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 70.42 110.847 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG22 ' OE1' ' A' ' 66' ' ' GLU . 61.3 t -54.68 -38.65 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.35 111.108 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.5 tpt -61.5 -27.03 68.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.885 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -86.37 -51.63 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -58.17 -37.92 75.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.01 110.853 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.2 p -69.44 -22.11 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.31 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 -53.31 6.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 60.51 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -52.05 -42.28 62.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 64.02 110.906 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.3 mt -68.89 -36.76 78.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.945 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.6 tt0 -71.17 -32.48 68.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -82.55 -56.1 4.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -51.14 -59.78 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.53 110.906 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -73.19 -27.58 61.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.903 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.49 56.59 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 32.22 112.495 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 HG23 ' A' ' 75' ' ' ILE . 9.0 t -140.86 152.79 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 63.1 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -86.77 127.74 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.875 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 50' ' ' GLU . 16.6 mt -109.39 114.61 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.25 111.124 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -55.07 163.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.83 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -81.6 -26.75 34.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.869 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -78.2 -61.95 1.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.847 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 65' ' ' ILE . 16.0 m-20 -57.6 -23.39 50.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.857 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.8 -23.43 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.086 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -31.75 19.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 70.45 110.919 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.92 34.5 2.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.929 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 61' ' ' ASP . 1.1 pp -147.47 35.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.118 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 42' ' ' VAL . 8.9 mt-10 -105.41 -2.75 23.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.74 160.83 14.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 64.21 111.123 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.7 t -49.26 -48.27 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 62.11 111.119 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.58 -44.1 8.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 45.43 112.501 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.99 -17.36 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 75.2 111.088 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.96 -66.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 70.42 111.11 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.6 p -55.85 -39.72 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.094 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -24.18 67.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CG ' HG21 ' A' ' 65' ' ' ILE . 75.7 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 73.2 110.929 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.9 mm -57.47 -44.17 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 63.25 111.079 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 72' ' ' VAL . 99.4 t -68.25 -60.88 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 63.5 111.133 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -51.48 -30.05 18.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 51.22 110.836 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -82.14 -35.48 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 72.04 110.888 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.86 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 70.24 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 t -86.51 174.18 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 53.22 111.14 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.9 ptt85 -58.89 -38.58 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 53.13 110.895 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.02 -62.65 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -50.39 -47.27 56.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 71.54 110.915 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.636 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.5 t -61.0 -58.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -51.57 -46.11 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -59.88 -60.44 3.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.596 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -45.58 -60.28 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.51 110.874 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.1 t -50.94 -45.84 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.2 111.115 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.29 92.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.102 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -60.88 2.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.956 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 9' ' ' LYS . 4.3 mt -48.28 -38.02 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.23 111.129 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 31' ' ' ILE . 81.5 mt -78.0 -38.02 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 62.13 111.145 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 20.3 t -68.35 -23.65 64.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.88 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -43.07 9.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 63.23 110.891 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -47.24 68.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 64.22 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 74.0 m-85 -95.81 -176.07 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.908 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.15 19.36 17.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.852 HD13 HG12 ' A' ' 25' ' ' VAL . 15.2 tt -82.18 160.92 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.159 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -89.42 125.29 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.15 110.899 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.82 -20.03 20.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 71.34 111.071 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -95.55 -28.92 14.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 44.21 110.853 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -80.34 -31.85 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.05 110.893 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 20' ' ' ILE . 3.0 m -46.89 105.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.135 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.468 HG22 HD12 ' A' ' 29' ' ' LEU . 9.2 t -128.68 163.79 24.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.51 111.14 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -63.58 -16.7 61.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -96.11 13.37 27.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD12 HG22 ' A' ' 26' ' ' THR . 16.8 mt -135.57 75.76 1.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.872 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.481 ' CG ' HG22 ' A' ' 67' ' ' THR . 12.9 t30 -53.76 120.87 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 75.4 110.892 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.726 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.95 -42.54 85.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 74.5 111.12 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -48.13 -45.0 32.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.908 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.11 -56.73 3.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 51.42 110.886 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -45.92 -57.17 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.599 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -81.59 -17.63 47.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 66.86 33.93 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.97 132.48 11.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.01 111.133 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.22 179.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 64.02 110.847 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.62 -51.47 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 64.24 110.891 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.2 mm -50.98 -46.38 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.488 . . . . 72.23 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.48 -34.28 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.887 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 ' OE2' ' A' ' 66' ' ' GLU . 43.1 t -55.2 -40.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 75.04 111.119 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -26.08 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -86.39 -49.58 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -60.4 -43.03 97.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 63.03 110.875 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -65.87 -21.7 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.41 111.127 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.0 tp -81.32 -56.53 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.954 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.14 -48.46 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.861 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.0 mt -59.62 -42.05 91.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.897 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.688 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.7 tt0 -68.97 -30.26 68.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.905 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -79.27 -63.47 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.1 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -59.92 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.907 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.642 ' CD2' HG21 ' A' ' 75' ' ' ILE . 7.0 m-85 -68.57 -27.46 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 65.14 110.904 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.76 56.63 7.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 73.42 112.496 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 151.58 44.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.302 . . . . 75.41 111.15 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.6 126.07 35.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.901 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.688 HD12 ' HB2' ' A' ' 50' ' ' GLU . 6.3 mt -111.03 123.29 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.079 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.69 169.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.86 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -80.76 -50.19 10.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.887 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -68.57 -47.87 65.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 53.41 110.9 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.36 -38.06 79.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.55 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.499 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.22 -17.29 18.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 54.03 111.143 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.31 -19.4 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 62.51 110.905 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -102.15 -44.9 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 60.3 110.865 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.656 HD11 HG21 ' A' ' 57' ' ' ILE . 1.2 pt -72.96 65.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 63.21 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.638 ' OE2' HG13 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -119.77 -10.04 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.858 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.98 160.0 18.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 72.11 111.19 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 31' ' ' ILE . 43.5 t -49.02 -46.29 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 63.35 111.163 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.21 -44.22 8.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.466 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.561 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.27 -17.27 41.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 41.43 111.105 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.19 -66.03 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 51.21 111.073 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.3 p -55.51 -41.36 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.15 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.8 t70 -60.09 -24.42 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.879 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CD2' HD13 ' A' ' 65' ' ' ILE . 60.3 t80 -89.61 -54.2 4.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.8 mm -57.56 -40.35 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 53.14 111.131 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.4 t -72.06 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 70.34 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.3 t -51.62 -29.66 18.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.55 110.847 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -86.8 -32.27 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.888 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 52.44 110.869 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.846 0.355 . . . . 64.11 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.599 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -89.67 173.55 8.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 42.01 111.138 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -36.72 74.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.867 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.82 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 72.11 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -50.31 -44.93 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.745 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.0 t -62.31 -52.7 56.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.43 111.114 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 tp -55.04 -45.73 75.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 70.53 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -60.07 -60.74 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -60.21 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.903 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 49' ' ' LEU . 81.9 t -49.91 -45.09 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 52.44 111.115 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.75 -38.28 89.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 72.12 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -61.24 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.899 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.6 mt -49.82 -38.63 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 31' ' ' ILE . 58.5 mt -74.79 -43.39 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 70.14 111.146 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.465 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 43.0 t -65.94 -22.33 66.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.842 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -91.45 -46.34 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 40.43 110.935 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.09 -47.21 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 91.3 m-85 -94.51 177.48 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.911 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.88 19.8 13.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.898 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 16.7 tt -81.99 160.16 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.53 111.163 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.48 124.75 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.859 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.64 -20.31 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.073 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -95.35 -27.94 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.851 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -81.52 -31.8 32.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 60.04 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 3.2 m -47.31 105.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 42.51 111.103 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 29' ' ' LEU . 9.0 t -131.18 165.1 24.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.21 111.165 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -63.66 -15.95 59.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 64.54 110.863 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.727 ' O ' HD22 ' A' ' 29' ' ' LEU . 17.4 mt-30 -95.53 12.59 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.3 110.901 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' O ' ' A' ' 28' ' ' GLN . 3.3 mm? -135.37 76.23 1.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 51.31 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.8 t30 -54.44 120.48 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.859 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.607 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -67.65 -42.54 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 72.2 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -45.17 27.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 71.23 110.895 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.56 -56.44 3.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.865 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -45.99 -57.43 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 63.55 110.84 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.13 -18.64 45.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 64.15 110.888 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 65.95 30.75 9.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.888 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.47 138.18 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 45.22 111.069 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -60.01 173.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.23 110.812 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -73.46 -57.67 3.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.6 mt -51.28 -35.56 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 64.11 111.136 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -50.88 -39.97 55.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 71.44 110.876 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 56.1 t -60.44 -34.23 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 62.43 111.156 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 tpp -60.59 -29.58 69.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 64.55 110.879 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -86.65 -51.55 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.886 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -56.28 -39.38 72.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 61.42 110.914 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.0 p -67.99 -21.88 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 71.03 111.139 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -51.82 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 45.15 110.904 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -56.9 -40.56 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.863 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' CD2' HG22 ' A' ' 10' ' ' VAL . 14.9 mt -67.43 -59.37 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -21.25 55.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 42.02 110.881 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -84.71 -63.27 1.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.868 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -51.33 -55.64 17.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.871 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.745 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 7.0 m-85 -65.38 -27.62 68.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 62.44 110.823 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.14 56.38 5.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 24.31 112.455 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -140.87 166.72 24.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 74.43 111.169 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -101.08 123.11 44.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.25 110.837 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 74' ' ' TYR . 32.2 mt -110.44 121.81 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 73.33 111.132 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.9 162.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.2 110.787 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -26.24 35.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 45.21 110.861 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -83.58 -60.26 2.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.13 110.954 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -53.39 -38.36 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.812 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.497 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -57.72 -15.45 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.126 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.75 -20.28 29.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.87 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.8 -45.8 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 72.01 110.901 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -70.48 72.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.34 111.112 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -121.23 -9.6 9.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.41 159.56 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 72.3 111.135 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 31' ' ' ILE . 39.1 t -49.68 -44.12 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.69 -46.41 6.8 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 60.21 112.466 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.98 -17.74 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 74.1 111.076 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.76 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.114 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.6 p -54.81 -39.03 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.144 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.54 -26.96 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.876 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 65' ' ' ILE . 74.7 t80 -89.35 -51.4 5.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.886 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.2 mm -58.62 -40.55 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.22 111.156 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.93 -59.96 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.02 111.091 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -51.67 -30.14 20.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 51.51 110.833 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -86.26 -35.54 19.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 70.03 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.872 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mtt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 72.42 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -86.38 174.1 9.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 71.41 111.135 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.78 -40.12 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.86 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.99 -62.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 62.31 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -49.79 -48.58 50.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.868 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 89.8 t -60.39 -56.62 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.29 -44.96 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.84 -60.78 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 72.05 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.52 -60.2 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 75.31 110.886 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.05 -45.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.141 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.45 93.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 54.23 111.132 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.19 -61.04 1.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.876 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.6 mt -49.93 -39.57 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 71.32 111.127 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 10' ' ' VAL . 63.5 mt -74.2 -39.64 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.4 111.098 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -70.75 -18.14 62.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.85 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -95.07 -46.27 6.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 70.31 110.931 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -67.85 -47.26 69.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.21 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 94.3 m-85 -94.42 174.92 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.25 110.902 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 15.33 14.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.34 110.84 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.67 HD13 HG12 ' A' ' 25' ' ' VAL . 15.5 tt -82.07 159.55 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 31.33 111.136 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -94.72 139.22 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.35 -11.54 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 61.43 111.055 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -32.82 12.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 51.44 110.845 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -79.88 -32.26 40.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.893 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' ILE . 1.8 m -46.93 105.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 62.12 111.142 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.645 HG22 HD12 ' A' ' 29' ' ' LEU . 7.0 t -127.38 161.34 28.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 51.54 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -63.14 -16.7 60.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 72.34 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.28 15.51 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 71.33 110.892 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.645 HD12 HG22 ' A' ' 26' ' ' THR . 22.6 mt -135.52 75.72 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 72.23 110.916 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.7 t-20 -56.48 125.52 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.909 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 HD13 HD13 ' A' ' 14' ' ' ILE . 3.5 mp -67.82 -42.34 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 65.12 111.116 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -48.95 -44.44 40.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -87.54 -58.72 2.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 54.03 110.871 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -46.94 -57.52 4.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -78.79 -19.48 52.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 66.68 27.56 9.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.92 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.42 143.02 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.099 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.48 176.87 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.881 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.28 -49.83 10.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.85 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -50.5 -45.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 60.45 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -50.86 -35.89 34.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 44.41 110.878 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 46' ' ' VAL . 45.2 t -55.97 -38.5 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 75.52 111.164 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -24.98 67.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.879 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.13 -52.37 5.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 60.14 110.887 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -57.91 -43.26 86.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.904 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.5 p -65.05 -21.56 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.51 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tt -81.39 -52.5 7.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 54.44 110.915 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.03 -41.67 79.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.03 -58.27 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -59.23 -21.51 59.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.894 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.58 -63.57 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.832 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -51.41 -55.89 16.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 65.52 110.886 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.0 m-85 -65.59 -27.48 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.25 110.921 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.58 56.45 6.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 61.2 112.471 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -138.53 162.07 35.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 71.2 111.1 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.69 118.28 32.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 74' ' ' TYR . 46.7 mt -106.25 118.95 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.51 111.162 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -54.83 162.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 70.52 110.897 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -28.19 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.884 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -81.93 -61.66 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.884 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -30.86 41.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 63.1 110.879 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -57.59 -18.02 17.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 33.14 111.1 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -86.67 -22.21 26.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -97.35 -43.78 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -73.83 62.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 62.33 111.151 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -119.31 17.21 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 72.54 110.914 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -114.58 161.83 17.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.125 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.75 -49.25 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.91 -42.62 8.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 74.25 112.441 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.9 -17.37 36.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 74.51 111.142 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.98 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.33 111.082 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.79 -41.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 75.45 111.125 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.47 -24.26 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.485 ' CE2' HG23 ' A' ' 57' ' ' ILE . 60.3 t80 -89.22 -54.21 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.922 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.643 HG21 ' CD2' ' A' ' 53' ' ' PHE . 41.5 mm -57.76 -43.8 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 55.02 111.152 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 72' ' ' VAL . 92.0 t -68.18 -60.9 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 52.41 111.118 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.2 t -51.77 -29.88 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.899 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -83.1 -34.83 26.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 75.23 110.95 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.841 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.858 0.361 . . . . 71.1 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.3 t -83.97 172.65 11.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 65.5 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -57.63 -36.47 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.864 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.0 -62.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.922 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -50.34 -44.06 54.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.906 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 98.1 t -61.84 -55.46 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 62.55 111.137 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.5 tp -53.66 -45.9 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.21 -60.51 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 53.13 110.898 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' C ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -46.21 -60.14 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.87 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.651 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.3 t -50.66 -45.49 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 72.31 111.092 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.16 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.095 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.56 -60.54 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 70.43 110.935 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.46 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.5 mt -47.96 -37.86 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.02 111.092 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 31' ' ' ILE . 80.4 mt -78.49 -39.05 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 74.5 111.12 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.2 t -66.79 -25.15 66.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.851 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -42.12 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.843 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -68.06 -47.11 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 64.11 110.891 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 71.6 m-85 -96.88 -176.9 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.14 110.859 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.47 19.04 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.823 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.811 HD13 HG12 ' A' ' 25' ' ' VAL . 15.4 tt -82.12 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.25 111.129 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -88.4 125.11 34.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.505 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.25 -19.74 23.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 75.55 111.066 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.53 -28.46 14.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 71.24 110.891 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -80.44 -31.96 37.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.42 110.894 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.74 104.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 62.15 111.138 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.616 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.0 t -127.99 166.39 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.2 111.166 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -64.58 -15.28 60.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 72.15 110.871 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.8 mt-30 -98.39 13.65 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.8 mp -135.59 76.23 1.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 71.44 110.899 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 67' ' ' THR . 13.2 t30 -54.72 121.79 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.912 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.733 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -68.51 -43.99 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.141 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -48.08 -43.42 30.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.32 110.938 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.27 -58.03 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 71.02 110.883 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -45.94 -57.38 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD23 HG23 ' A' ' 31' ' ' ILE . 4.2 mm? -80.51 -17.88 50.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.934 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.9 33.38 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 62.34 110.865 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -46.76 133.19 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.45 111.103 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -51.53 159.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.901 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.661 ' O ' HG12 ' A' ' 42' ' ' VAL . 5.2 p -64.57 -58.76 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 65.45 110.832 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.04 -28.78 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.25 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.86 -38.75 61.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 50.15 110.884 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 39' ' ' SER . 5.1 p -58.35 -28.15 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 43.2 111.1 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.0 tpp -66.04 -30.66 71.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.878 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.78 -49.03 7.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 75.02 110.909 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -59.34 -37.71 78.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 70.2 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.77 -22.7 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.74 -53.72 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 64.44 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.34 -43.22 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.9 mt -66.91 -39.99 87.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.914 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.0 -32.68 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -80.7 -57.71 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 53.55 110.799 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.87 -59.93 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 75.44 110.892 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.678 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.1 m-85 -71.41 -27.58 63.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.88 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.34 56.48 5.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.677 -0.773 . . . . 61.24 112.5 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 t -141.98 153.6 44.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 73.54 111.151 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.04 124.7 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 70.41 110.878 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG23 ' CE2' ' A' ' 74' ' ' TYR . 58.3 mt -106.28 116.71 50.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.34 111.12 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -55.01 162.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 34.03 110.877 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.6 -30.08 33.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 71.02 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -75.44 -61.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.61 -23.11 49.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.832 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -51.09 -22.84 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 60.45 111.08 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.26 -32.28 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.896 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.41 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -101.12 35.1 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.887 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' ' 65' ' ' ILE . 1.2 pp -149.0 38.22 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 71.13 111.125 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -105.04 -13.87 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.2 p -86.19 160.02 19.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.11 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG22 HD11 ' A' ' 31' ' ' ILE . 42.6 t -49.35 -47.51 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.11 111.145 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.98 -45.73 8.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 62.32 112.462 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.91 -17.33 36.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 74.44 111.105 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.94 -65.92 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 43.44 111.109 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.7 p -55.79 -39.05 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 63.14 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.78 -24.99 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE2' HG23 ' A' ' 57' ' ' ILE . 75.1 t80 -89.32 -52.0 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.921 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.45 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.3 mm -58.05 -40.23 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 73.45 111.081 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 72' ' ' VAL . 96.2 t -73.19 -60.36 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 70.35 111.127 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.7 t -51.49 -29.93 18.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.854 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -87.01 -34.17 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 51.34 110.868 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 63.15 110.848 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.879 0.371 . . . . 64.53 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -90.21 173.31 8.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 64.15 111.144 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -58.15 -39.76 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.895 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.18 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.931 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.17 -45.31 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.7 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.7 t -62.3 -53.61 45.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 74.4 111.132 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.8 tp -54.66 -45.86 73.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -59.85 -60.6 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.41 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -60.28 2.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.876 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.663 HG22 ' CD2' ' A' ' 49' ' ' LEU . 85.5 t -50.01 -45.32 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.154 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.06 94.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 73.01 111.087 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -71.55 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.889 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.3 mt -49.43 -37.35 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 71.33 111.175 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 31' ' ' ILE . 61.5 mt -77.54 -37.67 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 71.31 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 11.8 t -70.28 -22.41 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.17 -44.18 8.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 62.5 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -68.05 -47.12 69.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.869 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' HE2' ' HB2' ' A' ' 37' ' ' ALA . 77.1 m-85 -95.1 -179.65 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.881 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.95 18.79 16.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.86 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.846 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.02 160.67 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.166 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.28 124.79 34.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.895 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -56.3 -20.43 18.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 74.02 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -95.58 -26.89 15.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.842 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -82.24 -31.94 29.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.913 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.846 HG12 HD13 ' A' ' 20' ' ' ILE . 2.7 m -47.03 105.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 75.41 111.136 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.649 HG22 HD12 ' A' ' 29' ' ' LEU . 9.1 t -129.9 163.81 25.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 30.32 111.126 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -63.46 -16.72 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 65.24 110.891 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -95.08 12.85 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 HG22 ' A' ' 26' ' ' THR . 14.6 mt -135.69 75.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' CG ' HG22 ' A' ' 67' ' ' THR . 14.0 t30 -53.54 120.83 6.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.22 110.911 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.777 HD13 HD13 ' A' ' 14' ' ' ILE . 2.8 mp -68.48 -42.29 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.23 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -48.08 -44.68 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 62.3 110.894 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.35 -55.68 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.848 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -47.02 -57.31 5.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 64.42 110.898 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 HD23 HG23 ' A' ' 31' ' ' ILE . 4.4 mm? -81.29 -17.83 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.918 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.6 t30 66.88 30.94 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 62.03 110.901 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 18' ' ' PHE . . . -47.16 134.09 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 64.21 111.085 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.23 179.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 75.22 110.858 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.1 m -83.19 -50.1 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.858 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.7 mm -50.85 -46.25 29.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 74.11 111.121 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.13 -34.46 30.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.882 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' VAL . 41.4 t -57.05 -38.82 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 72.43 111.14 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -26.16 67.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 65.41 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.54 -51.64 6.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 62.24 110.889 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.4 -41.39 80.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.894 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.5 p -66.65 -21.74 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 71.43 111.14 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.57 -52.06 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.03 110.924 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.6 -40.42 75.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 52.25 110.892 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.4 mt -67.86 -59.07 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.902 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.773 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -58.9 -21.73 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.55 110.892 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.69 -63.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.889 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -57.05 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.43 110.901 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.7 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.2 m-85 -65.39 -27.72 68.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.52 110.889 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.77 56.61 5.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.737 -0.744 . . . . 63.34 112.483 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.2 t -139.16 165.04 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.732 0.301 . . . . 72.42 111.142 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -101.43 125.44 48.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.842 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.773 HD12 ' HB3' ' A' ' 50' ' ' GLU . 36.0 mt -114.79 125.4 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 61.02 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.02 172.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.847 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.74 -49.78 10.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 44.52 110.893 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -69.47 -46.91 65.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.932 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -52.69 -51.04 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.881 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.526 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -58.11 -17.14 16.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.095 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -83.92 -14.88 49.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.886 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -111.33 -48.16 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 74' ' ' TYR . 1.2 pt -69.19 77.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 70.31 111.144 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 -6.22 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 64.1 110.92 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' ASN . 1.1 p -89.29 157.93 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 72.11 111.111 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.56 HG22 HD11 ' A' ' 31' ' ' ILE . 40.6 t -49.67 -42.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 53.01 111.114 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.31 -47.91 6.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.803 -0.713 . . . . 41.53 112.447 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.25 -17.86 31.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 62.54 111.07 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -66.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 75.54 111.098 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.3 p -55.67 -38.94 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 70.03 111.127 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.14 -24.93 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.873 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 65' ' ' ILE . 74.4 t80 -89.37 -52.32 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 63.22 110.879 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 53' ' ' PHE . 47.5 mm -57.6 -41.82 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.126 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.43 -59.63 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.159 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.9 m -51.51 -30.16 19.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 70.42 110.839 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -85.4 -35.79 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.13 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 54.2 110.862 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.862 0.363 . . . . 72.4 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.1 t -89.14 173.33 8.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 70.03 111.14 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 -58.95 -36.28 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -62.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.919 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.87 -45.61 60.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 72.52 110.898 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.721 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.9 t -62.64 -53.18 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.139 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.94 -45.89 71.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 52.23 110.928 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -60.46 -60.84 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.878 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.32 -60.12 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 61.01 110.902 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.8 t -49.59 -45.88 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.1 111.141 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 -36.84 84.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 74.13 111.101 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -72.98 -61.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 54.22 110.864 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.82 -39.29 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.32 111.123 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 31' ' ' ILE . 58.4 mt -72.59 -45.59 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.102 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 t -68.4 -15.74 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -95.93 -45.08 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.21 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -67.69 -47.01 70.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.866 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 93.0 m-85 -94.8 -176.69 3.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.865 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -100.14 21.05 13.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.873 HD13 HG12 ' A' ' 25' ' ' VAL . 15.7 tt -82.11 160.61 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.24 111.099 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 6.6 mm-40 -91.0 125.41 35.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 42.42 110.867 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -19.3 22.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 53.53 111.104 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.91 -29.9 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 75.2 110.854 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -80.13 -32.25 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.873 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.02 111.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.19 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.659 HG22 HD12 ' A' ' 29' ' ' LEU . 8.0 t -131.05 162.21 30.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.108 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -62.8 -16.63 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.866 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -98.61 17.59 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.906 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.659 HD12 HG22 ' A' ' 26' ' ' THR . 26.5 mt -135.46 75.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.661 ' CG ' HG22 ' A' ' 67' ' ' THR . 45.1 t-20 -59.19 119.03 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.905 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -62.56 -36.32 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 75.24 111.178 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -52.99 16.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.845 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.62 -50.48 6.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.846 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -46.72 -56.3 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 52.03 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.62 -15.72 38.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.956 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.91 28.03 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.44 142.75 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.104 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.03 173.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 64.15 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.82 -49.12 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.35 110.856 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.4 mm -50.59 -45.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 75.04 111.138 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -50.92 -35.73 34.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.859 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.627 HG13 ' CD ' ' A' ' 66' ' ' GLU . 47.5 t -54.52 -38.72 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 65.22 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.3 tpt -62.62 -25.14 67.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 65.31 110.88 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.12 -51.42 6.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -57.96 -39.94 79.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 75.52 110.869 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 42' ' ' VAL . 10.8 p -68.74 -21.38 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.0 tp -81.81 -49.96 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.915 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -42.25 82.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.892 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.677 ' CD2' HG22 ' A' ' 10' ' ' VAL . 9.5 mt -67.89 -56.09 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 74.43 110.904 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.99 -22.55 62.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.93 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.64 -63.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 62.13 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -51.15 -56.39 13.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 75.14 110.931 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.721 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 10.4 m-85 -65.52 -27.53 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.896 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.84 56.47 5.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 51.21 112.52 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -139.91 163.91 31.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.722 0.296 . . . . 72.42 111.175 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.65 121.46 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.925 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' A' ' 50' ' ' GLU . 62.9 mt -103.62 115.56 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.53 111.155 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -55.11 168.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.848 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -81.26 -48.92 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.875 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -64.81 -49.08 72.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 63.11 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.6 m-20 -59.89 -30.54 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.846 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.3 -22.44 2.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 74.11 111.086 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -87.74 -32.03 19.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.86 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 34.29 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.859 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.1 pp -147.83 36.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 74.23 111.103 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.627 ' CD ' HG13 ' A' ' 42' ' ' VAL . 48.3 mm-40 -108.86 20.0 18.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 71.2 110.846 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.661 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -121.07 162.71 19.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 111.16 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 72' ' ' VAL . 35.0 t -49.85 -49.44 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 72.24 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.87 -45.12 7.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 62.32 112.488 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.82 -17.8 26.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 52.14 111.093 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.2 -66.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.41 111.098 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 68' ' ' VAL . 7.2 p -55.31 -40.95 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.152 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 72' ' ' VAL . 11.2 t70 -62.46 -25.04 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 60.32 110.883 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' CG ' HG21 ' A' ' 65' ' ' ILE . 75.3 t80 -89.43 -53.08 4.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.918 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 53' ' ' PHE . 43.1 mm -57.76 -42.39 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 70.5 111.147 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.34 -60.2 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 64.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -51.67 -29.87 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.2 110.881 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.55 -37.65 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 73.41 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.836 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.6 mtm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 74.45 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -86.81 173.82 9.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.21 111.136 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -58.81 -37.42 76.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.874 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -63.11 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.51 -45.48 56.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.886 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.733 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 95.8 t -63.09 -53.95 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 65.35 111.16 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.27 -47.84 65.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.916 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -60.79 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 52.24 110.919 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -60.16 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.1 t -50.55 -46.14 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 75.51 111.087 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.82 -36.3 80.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 63.15 111.141 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -74.61 -61.37 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 70.1 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.7 mt -49.51 -37.48 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.094 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 HD12 HG12 ' A' ' 10' ' ' VAL . 65.1 mt -75.51 -47.58 33.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.112 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 87.2 p -64.34 -16.87 63.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 63.32 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.11 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 51.21 110.894 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -68.16 -47.38 68.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.854 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 56.0 m-85 -98.19 -175.93 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 71.23 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 22.79 10.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.812 HD13 HG12 ' A' ' 25' ' ' VAL . 17.0 tt -82.16 159.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 25' ' ' VAL . 4.9 mt-10 -90.59 125.06 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.886 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.91 28.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 64.44 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.99 -30.14 13.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 73.12 110.91 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -80.2 -32.03 38.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.925 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.812 HG12 HD13 ' A' ' 20' ' ' ILE . 4.4 m -44.33 106.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 71.51 111.135 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 29' ' ' LEU . 9.7 t -127.1 166.26 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 62.15 111.132 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.13 -14.79 61.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 51.11 110.847 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.661 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.7 mt-30 -98.23 12.1 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 28' ' ' GLN . 6.0 mp -130.33 76.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.655 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.5 t-20 -63.15 116.05 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.867 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.524 HD13 HD13 ' A' ' 14' ' ' ILE . 4.0 mp -58.5 -36.04 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.155 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -50.56 -54.06 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.856 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -86.47 -58.18 2.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.44 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.72 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.836 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.7 -18.08 45.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.947 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.67 26.71 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 71.12 110.87 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . . . -48.27 143.55 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.111 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -60.62 165.89 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 72.12 110.865 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -77.72 -51.48 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 55.31 110.849 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.46 -41.99 27.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.131 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -35.82 35.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 54.35 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 46' ' ' VAL . 91.2 t -53.62 -36.9 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 60.33 111.133 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.833 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -86.07 -51.79 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -58.01 -37.66 74.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.887 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 42' ' ' VAL . 7.9 p -69.34 -22.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.04 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 tp -81.63 -53.48 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 72.12 110.949 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.85 -42.5 62.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 72.31 110.919 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.6 mt -68.41 -36.77 79.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 75.13 110.945 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' A' ' 57' ' ' ILE . 1.7 tt0 -71.17 -32.3 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.54 110.895 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.27 -56.3 4.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 52.14 110.876 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.36 -59.82 3.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.885 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.733 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.0 m-85 -72.85 -27.6 62.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 73.23 110.872 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.59 56.46 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 72.53 112.439 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -139.99 151.87 45.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.719 0.295 . . . . 61.34 111.131 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -86.39 127.21 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.1 mt -109.72 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 71.43 111.145 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 4.0 m -54.99 164.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.43 110.849 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -25.41 35.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 64.1 110.836 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -79.52 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.861 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' O ' HG12 ' A' ' 65' ' ' ILE . 73.0 m-20 -57.77 -24.33 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.46 -23.79 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.01 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -87.25 -33.08 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.906 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 34.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.919 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.1 pp -147.73 33.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 65.31 111.116 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -107.43 19.96 19.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.855 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.655 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -119.8 163.7 17.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.137 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.6 t -48.65 -52.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 54.2 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.89 -42.35 8.98 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 71.33 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -59.13 -17.79 29.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 73.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.95 -66.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 43.21 111.07 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.75 -40.85 63.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.25 -25.25 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.859 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -89.31 -53.87 4.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 61.21 110.927 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.4 mm -57.67 -42.73 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 64.04 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -69.56 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.124 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.5 t -51.51 -30.01 18.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 64.32 110.861 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.11 -34.01 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 70.4 110.899 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 63.4 110.875 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.44 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.0 t -87.86 173.87 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.174 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -59.18 -36.8 75.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 63.32 110.869 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -63.48 -62.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.861 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -50.66 -45.81 58.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.933 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.727 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 99.0 t -62.51 -53.11 51.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 71.13 111.137 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.24 -46.25 69.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.878 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -60.95 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.942 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 64.01 110.864 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.66 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.9 t -50.43 -45.85 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 72.4 111.128 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.12 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 75.13 111.099 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.38 -61.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.915 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 9' ' ' LYS . 3.7 mt -50.16 -37.67 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 70.01 111.094 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.54 HD12 HG12 ' A' ' 10' ' ' VAL . 63.4 mt -74.86 -47.64 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 70.55 111.143 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.4 t -66.05 -15.16 62.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.852 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.27 -42.75 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 62.32 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.07 -47.24 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 58.1 m-85 -97.91 -176.13 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.863 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -99.19 22.09 10.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 55.15 110.826 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 HG12 ' A' ' 25' ' ' VAL . 16.4 tt -82.09 159.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.136 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.16 128.09 37.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.904 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' HG22 ' A' ' 25' ' ' VAL . . . -59.79 -17.19 33.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 71.55 111.097 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -95.4 -30.83 13.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.871 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -80.19 -31.1 38.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.907 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.702 HG12 HD13 ' A' ' 20' ' ' ILE . 4.9 m -45.08 105.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.129 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 HD22 ' A' ' 29' ' ' LEU . 9.9 t -127.52 165.31 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 70.53 111.151 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.06 -14.87 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 42.21 110.836 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 29' ' ' LEU . 3.2 mt-30 -99.01 12.49 35.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.913 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' GLN . 5.4 mp -129.76 76.27 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 71.31 110.957 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HG22 ' A' ' 67' ' ' THR . 42.7 t-20 -62.6 116.02 4.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 31' ' ' ILE . 4.2 mp -58.63 -35.87 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttt -50.73 -54.07 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 64.15 110.878 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -86.54 -58.33 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.918 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.98 -56.69 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.4 110.88 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -81.98 -17.09 48.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 54.54 110.914 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 t30 66.16 25.85 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.864 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.01 141.96 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 61.14 111.117 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.99 171.5 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.05 110.871 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -50.27 9.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.851 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.8 mm -50.6 -44.42 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 75.13 111.179 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -51.01 -35.98 36.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -53.82 -38.34 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.162 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -25.93 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 71.43 110.84 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 -51.21 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.865 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -57.76 -39.54 77.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -68.15 -21.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.097 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.6 -54.95 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.01 110.898 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -50.86 -45.78 60.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 63.41 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 ' CD2' HG22 ' A' ' 10' ' ' VAL . 10.2 mt -63.05 -40.34 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.904 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 57' ' ' ILE . 4.4 tt0 -69.19 -31.48 70.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.887 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -79.53 -60.59 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.839 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -60.0 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.1 110.909 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.727 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -69.29 -27.6 65.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 61.13 110.895 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.85 56.54 6.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 31.53 112.459 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -140.85 150.62 43.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 63.24 111.137 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -86.39 123.66 31.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.939 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.618 HD12 ' HB2' ' A' ' 50' ' ' GLU . 14.4 mt -106.11 118.93 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.085 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.75 168.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 73.5 110.852 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -80.88 -48.9 11.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.865 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.73 -49.09 74.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.885 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' HG12 ' A' ' 65' ' ' ILE . 1.4 m-20 -59.78 -29.65 68.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 71.15 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 59' ' ' ASP . . . -50.81 -22.92 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 53.53 111.142 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.19 -33.71 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.05 34.54 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.894 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pp -148.92 35.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 62.15 111.135 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.89 18.69 20.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.648 HG22 ' CG ' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -120.08 162.43 19.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 43.02 111.124 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 37.7 t -48.49 -50.86 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.17 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.77 -43.22 8.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 70.15 112.472 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -58.85 -17.95 28.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.767 0.318 . . . . 70.13 111.086 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.08 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 71.34 111.11 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 p -55.67 -41.49 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.22 111.156 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.44 -25.24 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.881 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HG23 ' A' ' 57' ' ' ILE . 68.4 t80 -89.34 -53.11 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.937 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.441 HG21 ' CD2' ' A' ' 53' ' ' PHE . 45.6 mm -58.23 -42.49 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.42 111.146 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 72' ' ' VAL . 98.3 t -69.87 -60.84 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 70.41 111.132 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.8 m -51.49 -30.21 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.869 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -84.45 -33.1 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.926 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.836 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 73.32 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 t -90.62 173.28 8.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 74.05 111.15 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.2 -35.87 74.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.897 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -62.97 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.886 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.92 -45.74 60.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 70.25 110.927 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.742 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 94.3 t -62.34 -52.31 61.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.146 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.9 tp -55.24 -45.44 76.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.914 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -60.15 -60.87 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.974 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -60.21 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.878 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 49' ' ' LEU . 76.1 t -49.42 -45.88 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.122 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.67 81.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.125 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -74.17 -61.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.1 110.891 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.0 mt -50.9 -38.16 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 64.01 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.534 HD12 HG12 ' A' ' 10' ' ' VAL . 53.9 mt -73.51 -48.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.098 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 22' ' ' ALA . 28.6 t -63.58 -20.65 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.846 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.53 -45.37 7.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.93 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -67.9 -47.08 69.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 74.4 110.891 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 96.3 m-85 -95.31 -177.8 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.14 20.54 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.25 110.868 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.835 HD13 HG12 ' A' ' 25' ' ' VAL . 16.1 tt -82.05 160.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.135 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.19 125.11 34.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.89 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 15' ' ' SER . . . -57.24 -19.31 20.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.097 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.79 -29.15 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.874 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.52 -32.5 36.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.922 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 20' ' ' ILE . 5.0 m -45.48 112.37 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 HD12 ' A' ' 29' ' ' LEU . 10.2 t -136.27 163.46 30.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.18 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.46 -16.82 61.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 72.05 110.881 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.94 14.62 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.934 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD12 HG22 ' A' ' 26' ' ' THR . 14.9 mt -135.66 75.48 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.903 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.454 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.3 t-20 -53.77 127.36 25.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 64.22 110.922 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 35' ' ' LEU . 3.8 mp -70.2 -47.38 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.147 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -47.63 -40.07 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.907 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -87.86 -58.98 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.857 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -47.84 -57.81 5.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.839 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 31' ' ' ILE . 4.1 mm? -78.15 -19.01 54.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 53.35 110.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 66.81 27.32 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.854 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.1 143.5 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 51.12 111.06 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.49 174.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.868 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.24 -49.79 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 75.52 110.904 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.5 -44.86 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 71.04 111.089 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.63 -36.16 33.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.86 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 46' ' ' VAL . 61.3 t -54.43 -38.87 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.41 111.133 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -25.52 67.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.861 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.1 -52.43 5.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 70.41 110.876 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -57.54 -39.07 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 75.33 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 42' ' ' VAL . 9.4 p -68.88 -21.75 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.099 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 tp -81.63 -51.24 8.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 63.11 110.906 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.17 -40.95 78.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.874 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.671 ' CD2' HG22 ' A' ' 10' ' ' VAL . 13.6 mt -67.54 -58.61 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.943 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -21.64 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.52 110.909 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -84.68 -63.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.41 110.827 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.97 -56.28 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.902 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.742 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 6.7 m-85 -65.45 -27.67 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.86 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.52 56.28 5.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.502 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.1 t -139.46 166.74 23.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 73.41 111.142 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -101.19 122.69 44.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 70.25 110.932 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 74' ' ' TYR . 34.8 mt -110.87 121.02 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 72.53 111.146 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -54.87 162.59 1.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.35 110.924 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -26.85 35.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.888 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -82.81 -60.15 2.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.879 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -53.57 -37.53 63.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 63.44 110.906 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' HG22 ' A' ' 57' ' ' ILE . . . -57.8 -15.5 8.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.45 111.141 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -85.7 -20.81 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.862 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.95 -45.69 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 44.12 110.877 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 1.2 pt -70.77 71.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.22 111.164 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE1' HG22 ' A' ' 42' ' ' VAL . 13.3 mt-10 -123.21 -3.1 8.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.886 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.454 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -92.8 161.09 14.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 63.22 111.112 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 72' ' ' VAL . 41.1 t -49.15 -46.29 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.12 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.3 -44.16 7.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 60.02 112.458 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' A' ' 65' ' ' ILE . . . -60.14 -17.67 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 74.32 111.08 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.0 -66.34 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.137 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 68' ' ' VAL . 6.5 p -54.82 -40.25 51.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.45 111.163 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.21 -27.2 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 51.24 110.831 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 57' ' ' ILE . 73.1 t80 -89.44 -52.33 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.927 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 53' ' ' PHE . 46.6 mm -58.49 -41.18 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 64.32 111.128 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 81.6 t -71.74 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 70.01 111.13 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -51.43 -30.23 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 53.32 110.834 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -84.42 -37.16 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.907 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 71.14 110.869 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 63.24 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 t -89.07 175.54 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.158 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 76' ' ' VAL . 4.7 ttt180 -60.54 -40.2 90.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 63.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.5 -62.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -50.33 -49.58 53.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.688 HG13 ' CZ ' ' A' ' 53' ' ' PHE . 93.4 t -59.13 -53.65 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 65.01 111.147 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.91 -46.06 71.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.58 -60.9 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.03 110.872 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -59.9 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.926 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 49' ' ' LEU . 77.9 t -50.4 -45.28 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.41 -39.15 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 61.45 111.115 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -60.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.885 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.8 mt -49.83 -39.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 53.51 111.088 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 31' ' ' ILE . 62.9 mt -74.74 -40.36 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.134 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -69.24 -20.33 63.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.907 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.16 -44.65 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 63.5 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -67.97 -47.01 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 37' ' ' ALA . 91.9 m-85 -95.62 -179.55 4.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.865 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.96 18.46 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.769 HD13 HG12 ' A' ' 25' ' ' VAL . 15.8 tt -81.97 160.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.134 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -93.5 130.83 39.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.2 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.55 -18.45 29.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.084 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.59 -28.73 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -80.14 -32.46 38.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.964 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.769 HG12 HD13 ' A' ' 20' ' ' ILE . 2.5 m -47.32 104.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 51.34 111.092 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.681 HG22 HD12 ' A' ' 29' ' ' LEU . 5.3 t -126.14 162.19 25.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 71.11 111.139 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.81 -16.09 60.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.5 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -100.27 16.0 25.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 26' ' ' THR . 16.4 mt -135.51 75.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 67' ' ' THR . 2.6 t-20 -56.21 126.42 26.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.51 110.899 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.681 HD13 HD13 ' A' ' 14' ' ' ILE . 3.1 mp -69.71 -44.93 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.42 111.147 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -48.27 -41.98 29.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.877 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -87.27 -57.98 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.869 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.81 -57.13 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.852 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.81 -16.77 52.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.924 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t30 67.17 29.41 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 73.45 110.872 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CE1' ' A' ' 18' ' ' PHE . . . -48.71 143.88 4.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.067 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.23 169.25 7.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 52.23 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.5 p -75.75 -48.96 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.896 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.14 -43.59 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.165 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -35.58 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.42 110.876 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' VAL . 58.2 t -55.34 -38.25 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 73.3 111.102 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -27.06 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.86 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.22 -52.38 5.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.882 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -58.19 -36.92 73.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 42' ' ' VAL . 8.3 p -69.81 -22.79 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 74.04 111.155 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.58 -53.03 6.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 64.42 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -51.94 -40.97 61.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.871 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.667 ' CD2' HG22 ' A' ' 10' ' ' VAL . 11.2 mt -70.27 -34.87 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.03 110.938 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HB2' HD12 ' A' ' 57' ' ' ILE . 3.9 tt0 -73.15 -32.61 64.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.911 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -83.38 -55.05 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.866 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.03 -59.85 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.872 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.688 ' CZ ' HG13 ' A' ' 6' ' ' VAL . 5.9 m-85 -74.15 -27.59 60.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 63.45 110.845 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.25 56.53 4.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 54.54 112.475 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.4 t -139.31 151.65 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 52.5 111.14 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -85.91 125.87 33.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.877 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.679 HD12 ' HB2' ' A' ' 50' ' ' GLU . 18.5 mt -109.0 114.52 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.123 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -54.98 163.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 54.31 110.877 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.45 -25.08 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.89 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -79.8 -61.85 1.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.897 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' HG12 ' A' ' 65' ' ' ILE . 6.4 m-20 -57.64 -23.34 50.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 70.2 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 58' ' ' SER . . . -50.62 -23.69 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 60.31 111.132 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -87.55 -32.0 19.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 54.11 110.864 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -100.51 34.6 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.871 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.404 HG21 ' CG ' ' A' ' 74' ' ' TYR . 1.1 pp -147.42 34.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 43.23 111.168 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -105.53 -2.59 23.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 74.51 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.438 HG22 ' ND2' ' A' ' 30' ' ' ASN . 0.2 OUTLIER -96.72 160.73 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.03 111.168 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -49.18 -48.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.11 111.059 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.76 -44.41 7.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 53.23 112.495 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 64' ' ' LYS . . . -59.7 -17.51 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 63.24 111.097 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.8 -65.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.113 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.08 -39.28 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.155 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.09 -24.02 67.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.86 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CG ' HG21 ' A' ' 65' ' ' ILE . 67.4 t80 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.892 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 53' ' ' PHE . 44.0 mm -57.84 -44.96 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.43 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 3' ' ' ARG . 97.3 t -67.21 -60.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 70.21 111.121 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.9 t -51.44 -30.08 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.918 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -83.38 -33.14 25.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 75.22 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.823 -179.875 . . . . . . . . 1 1 . 1 stop_ save_