data_2rrt_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 2rrt _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 ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 60.13 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 70.53 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.23 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.837 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 73.21 111.107 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.35 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.875 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.493 -0.243 . . . . 74.23 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.02 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.35 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 54.32 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 75.4 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.886 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 72.12 111.109 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.895 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 62.52 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.34 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.32 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.53 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.85 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.24 . . . . 75.4 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 64.22 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.098 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.954 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.43 111.112 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.22 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 75.23 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.079 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 64.01 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.31 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.942 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.848 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.156 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.22 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.931 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.244 . . . . 54.24 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.43 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.45 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.873 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.42 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.872 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.882 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 73.13 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.51 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.35 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.52 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.35 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.131 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.11 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.43 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.842 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 74.34 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 73.21 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.1 111.136 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.15 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 75.02 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 73.15 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.91 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.138 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.892 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 60.15 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.53 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.45 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.45 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.53 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.856 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.142 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.35 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.54 111.159 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.844 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 74.41 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.1 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.13 111.166 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.32 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.52 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 70.34 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.14 111.11 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 72.44 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.41 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.13 111.144 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.847 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.55 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.823 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.242 . . . . 64.21 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 75.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 73.45 111.101 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.35 110.835 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.885 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.155 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.35 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.958 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 74.52 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.128 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 64.35 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.3 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.15 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.878 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 73.13 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.02 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.152 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 72.25 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.116 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.866 0.365 . . . . 72.13 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.107 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.872 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.04 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.106 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.91 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.506 -0.238 . . . . 72.13 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.33 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 63.25 111.108 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 75.31 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.964 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.55 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.02 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.888 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 62.31 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.24 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.917 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.139 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.44 110.945 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 75.25 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.903 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.239 . . . . 72.11 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.45 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.13 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.935 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.126 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.082 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 74.14 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.127 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.875 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.15 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.21 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.921 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.466 -0.254 . . . . 71.14 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.01 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.52 111.089 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 65.2 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.842 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.154 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.33 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.12 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 73.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.1 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.55 111.13 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.55 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.14 111.098 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.879 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.474 -0.251 . . . . 72.35 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.11 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.94 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.21 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.152 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.15 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.103 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 74.44 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.24 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.875 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.885 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 74.33 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 72.41 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 74.45 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.952 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.831 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.05 111.136 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.53 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 74.14 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.15 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.03 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 75.21 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.43 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.04 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.13 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 75.22 111.174 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.834 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 75.23 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.32 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.147 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.092 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 60.43 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 63.43 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.33 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.33 110.867 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.21 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.13 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.941 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 75.31 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 71.12 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 72.22 111.105 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 70.11 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 74.11 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.843 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.897 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.42 111.148 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.02 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.915 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.1 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 71.21 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 65.42 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 111.163 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.21 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.142 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 72.04 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.867 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.518 -0.233 . . . . 75.33 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.33 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.25 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.31 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.921 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.102 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 72.15 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.14 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.139 179.867 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 75.3 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.892 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.12 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.148 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.23 110.938 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.237 . . . . 64.54 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 75.24 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.13 111.188 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.836 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.911 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.894 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.146 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.886 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.25 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.51 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.01 111.167 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.44 111.093 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 75.44 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.32 111.127 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.871 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.468 -0.253 . . . . 45.03 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.11 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.13 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.54 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.885 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.14 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.01 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 74.54 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.21 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.3 111.124 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 71.43 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.34 110.891 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.2 111.121 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.134 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.4 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 73.15 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.45 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.44 111.157 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.34 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 63.12 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.892 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.35 111.16 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 64.4 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 74.44 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.35 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.141 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.01 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.867 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.467 -0.253 . . . . 73.11 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.1 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.1 111.158 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.122 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.134 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 73.44 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 72.02 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 75.45 111.114 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.45 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.933 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.32 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 65.51 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 71.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.4 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.41 111.163 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.45 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.828 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.03 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.11 111.084 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.11 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.911 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 70.52 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.42 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.128 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.872 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.21 111.127 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.101 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.52 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.838 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 73.52 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.1 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.122 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.947 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.2 111.124 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.829 0.347 . . . . 75.44 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.41 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 65.05 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.1 110.922 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.4 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 75.42 111.133 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.918 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 72.31 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 71.42 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.34 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.894 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.159 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 72.34 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 74.43 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.152 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.51 111.115 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.52 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.11 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 75.53 110.877 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.458 -0.257 . . . . 55.14 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.34 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.04 110.909 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 74.21 111.121 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 75.51 110.881 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.05 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.058 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 73.32 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.23 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 75.43 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.884 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.19 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.53 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.885 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.451 -0.26 . . . . 63.51 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 74.53 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.21 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.2 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.31 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.899 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.3 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.34 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.895 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.25 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 63.25 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 63.43 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.144 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.873 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.477 -0.249 . . . . 71.15 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 65.23 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.138 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.32 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.94 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.15 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.4 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.083 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 72.15 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.169 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.891 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 73.54 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 70.34 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.33 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.9 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.437 -0.265 . . . . 73.12 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.31 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.45 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 71.21 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.843 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.145 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.942 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.33 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 64.01 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.33 111.158 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.88 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.482 -0.247 . . . . 74.33 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 71.31 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.154 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.945 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.12 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.54 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.03 111.14 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.066 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 75.33 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 71.52 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 63.12 111.127 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 50.3 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.32 111.086 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.42 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.891 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.511 -0.236 . . . . 51.21 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.24 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 75.42 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.1 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.869 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.141 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.948 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 71.44 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.43 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.4 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.2 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.152 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.54 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.86 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 64.11 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.31 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.122 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.905 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.42 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 75.22 111.145 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.1 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.11 111.139 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.829 0.347 . . . . 75.21 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 61.31 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 70.53 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 63.2 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.101 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.44 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.925 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.237 . . . . 62.4 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.3 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.098 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.892 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.51 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.851 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.911 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.126 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.12 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.33 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 73.22 111.145 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.15 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.24 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.4 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.34 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.161 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.833 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.876 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 60.42 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 61.22 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.119 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.93 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.5 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.3 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.34 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.32 111.146 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 55.45 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.903 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.43 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.25 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.53 110.878 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 71.11 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.13 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.147 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.841 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.3 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.916 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.151 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.32 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.21 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.54 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.1 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.173 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.875 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.168 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.122 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.23 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 70.4 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.472 -0.251 . . . . 75.33 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.31 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.903 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.05 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 72.03 111.086 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.44 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.51 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.116 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.53 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.176 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.53 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.879 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.237 . . . . 62.24 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.33 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.44 111.113 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 75.21 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 74.42 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.41 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.842 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 62.22 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.153 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.935 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.41 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.12 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.04 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.133 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.43 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.04 110.852 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.477 -0.249 . . . . 75.1 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 71.52 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.096 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.108 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 64.14 111.123 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.788 0.327 . . . . 74.13 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.34 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.21 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.1 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.23 111.15 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.15 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.13 110.904 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 72.1 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.13 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 74.2 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.33 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.2 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.939 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.133 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 75.14 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.924 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.25 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.117 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.875 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.434 -0.266 . . . . 65.13 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 65.11 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.131 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.945 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 74.24 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.124 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.856 0.36 . . . . 74.13 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 65.35 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 63.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.22 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.34 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 71.53 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.899 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 74.11 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.33 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 75.21 111.135 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.861 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.22 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.126 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.888 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 73.23 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.948 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.14 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 74.4 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.44 111.121 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.41 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 73.04 110.824 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.502 -0.239 . . . . 72.2 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 74.44 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 63.33 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 71.14 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.116 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 72.41 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.45 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.106 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 73.13 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -172.29 81.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 71.25 110.889 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.37 171.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 71.02 111.151 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.58 26.42 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.891 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.22 100.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.819 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 25.92 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 60.13 110.909 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 70.53 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.23 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 72.32 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.837 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 73.21 111.107 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.35 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -124.89 -41.27 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 62.31 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -96.99 29.72 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.56 -143.82 5.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 62.44 112.493 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.33 54.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 74.23 110.893 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.01 19.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 74.23 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.02 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.128 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.35 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 54.32 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 75.4 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.886 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 72.12 111.109 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.895 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 62.52 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.34 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.32 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.53 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 73.35 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.57 33.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.2 mm 54.32 60.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.131 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 51.77 88.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.8 -134.32 9.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 73.55 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.26 163.69 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 73.02 110.824 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.01 -116.59 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 75.4 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 64.22 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.098 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 74.31 110.954 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.43 111.112 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.22 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 75.23 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.63 114.23 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 74.12 111.079 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.922 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 73.11 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.72 96.12 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.837 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -173.94 156.64 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 62.23 111.155 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.78 -53.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.866 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.6 96.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.908 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -176.98 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 64.01 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.31 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.942 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.848 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.156 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 75.22 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -133.29 50.76 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.62 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.89 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.88 -158.8 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.458 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -133.22 40.78 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 74.24 110.882 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.51 34.92 3.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 54.24 112.491 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.43 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.45 111.126 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.873 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.42 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.872 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.882 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 73.13 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.134 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.51 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.35 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.52 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.13 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 72.55 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.35 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.131 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.11 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 72.31 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.43 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -177.06 -73.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.2 mt 51.82 75.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 61.44 111.139 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -178.59 37.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.51 110.848 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.02 80.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 72.42 112.485 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 54.98 80.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 74.21 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.74 -81.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 74.34 112.473 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 73.21 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 75.1 111.136 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 71.01 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.14 111.123 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.15 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.43 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.4 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 64.31 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -70.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 63.24 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -55.04 -41.66 71.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 65.33 111.134 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.13 93.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.33 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -125.17 105.06 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.31 110.86 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -131.23 -62.97 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 75.02 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 73.15 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.91 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.138 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 156.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.892 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -51.99 141.41 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.1 18.48 7.24 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 73.53 112.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.96 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 63.43 110.892 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.54 178.41 19.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 60.15 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.53 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.45 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.45 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.53 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.856 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.142 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.35 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 73.54 111.159 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.94 89.24 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.844 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.4 mt -86.44 -72.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.4 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -99.12 58.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.864 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.55 -42.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 73.15 112.491 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 57.0 77.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 70.53 110.88 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.33 -19.5 42.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 74.41 112.464 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.1 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 72.13 111.166 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.14 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 75.32 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.52 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 70.34 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.5 -36.49 60.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 64.14 111.11 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 73.01 110.897 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 65.52 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -145.7 61.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.934 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -88.98 -25.16 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 74.32 111.185 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.45 -63.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -173.21 154.01 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.842 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.75 -55.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 72.44 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.41 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.13 111.144 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.04 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.847 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.2 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.55 111.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.823 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.36 131.89 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.861 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.44 105.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.862 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.09 169.32 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 71.04 112.49 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 62.56 58.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 64.24 110.883 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.18 -175.54 33.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 64.21 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 75.01 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 73.45 111.101 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.35 110.835 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.885 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.155 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.35 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.958 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 74.52 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.128 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 64.35 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.3 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.15 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.42 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.23 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.6 pt -59.64 162.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 120.02 11.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 54.21 110.862 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.54 -101.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 72.42 112.46 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -120.01 -35.76 3.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.14 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.67 60.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.756 . . . . 73.13 112.472 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.02 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.152 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 72.25 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.35 153.1 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.116 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 74.15 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.772 0.32 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -72.44 110.42 6.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 72.34 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.72 132.37 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.14 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.1 166.48 33.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -90.88 124.96 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -157.3 -52.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.879 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.107 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 71.44 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.872 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.04 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.106 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -93.32 -36.01 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -51.99 -39.35 59.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.873 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 31.36 7.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 74.04 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -113.05 -40.69 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.42 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.91 22.94 6.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 72.13 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.33 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 63.25 111.108 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 75.31 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.862 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.964 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.55 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.02 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.888 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 62.31 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.24 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.917 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.139 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.44 110.945 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 75.25 111.138 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.32 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.28 -173.41 4.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.58 81.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 75.44 111.165 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.53 96.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.838 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.28 144.86 16.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.14 112.494 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.78 119.43 15.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 75.03 110.874 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.96 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 72.11 112.501 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.45 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.13 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.935 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.126 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.911 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.79 -48.63 66.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.082 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.93 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 72.44 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -59.98 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.925 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -76.68 70.26 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.21 111.112 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.3 156.6 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.875 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.03 -176.62 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.03 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -146.3 26.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.892 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.22 111.127 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.875 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.45 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.15 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.21 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -120.91 62.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -68.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.874 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.71 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 70.22 112.482 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -136.64 -67.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 73.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.47 13.36 8.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 71.14 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.01 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.52 111.089 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 65.2 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.842 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.897 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.154 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.33 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.12 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 73.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.1 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.55 111.13 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.55 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.14 111.098 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -176.11 95.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 tt -67.28 145.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.04 111.073 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.42 75.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.99 -61.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 74.31 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.54 -46.08 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 73.51 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.01 30.33 7.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 72.35 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 75.11 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.94 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.21 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.152 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 75.43 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.886 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.15 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.16 -66.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.103 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.861 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 72.01 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.75 134.54 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.882 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -162.64 142.09 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.138 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.8 99.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.86 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -171.27 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.872 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.3 -57.97 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.904 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 73.24 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.875 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 73.4 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.85 41.71 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.13 26.11 6.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.888 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.31 74.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 54.04 112.502 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 62.24 102.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 70.23 110.866 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.9 -154.12 7.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.469 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 72.41 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 74.45 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 63.24 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.9 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 73.15 110.952 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.831 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.05 111.136 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.53 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 74.14 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.15 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.03 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 75.21 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.43 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.04 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.51 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.13 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 75.22 111.174 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.55 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -179.37 95.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.834 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -142.24 -67.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 75.01 111.098 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.77 155.93 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.901 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.91 -153.12 20.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 65.14 112.516 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.35 61.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 62.12 110.849 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.6 36.8 93.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.473 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.32 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.147 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.33 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.0 -58.03 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 75.04 110.873 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.793 0.33 . . . . 73.25 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -155.79 98.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -25.17 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.44 111.14 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.23 55.37 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.895 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -88.06 -32.67 18.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.859 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.37 45.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 60.43 110.911 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 63.43 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.33 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.33 110.867 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.21 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 75.13 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -113.08 -40.02 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.941 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -128.73 74.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.849 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.55 -167.79 35.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 74.33 112.508 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -136.59 53.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 74.22 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.06 33.84 5.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 75.31 112.5 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 71.12 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 72.22 111.105 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 70.11 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 74.11 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.843 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.897 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 74.2 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.42 111.148 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 73.04 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.02 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.915 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.1 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 71.21 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 65.42 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 75.02 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.3 111.163 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.21 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.142 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 72.04 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -125.39 44.52 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.42 137.84 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.13 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 61.79 83.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.87 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -54.12 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 73.41 112.512 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.02 50.83 17.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 75.11 110.84 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.2 -70.57 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.767 -0.73 . . . . 75.33 112.518 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.33 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.25 111.096 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.31 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.921 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.102 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 72.15 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.14 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.69 -56.51 20.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.139 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.945 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.309 . . . . 74.54 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -109.99 52.93 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -107.27 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 72.04 111.15 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.3 126.64 31.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.883 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.16 -51.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.834 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -169.37 42.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.882 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 72.53 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.892 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 64.12 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.148 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -85.14 96.42 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.23 110.938 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.15 77.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.836 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.07 -165.65 15.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 52.41 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -34.0 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 74.11 110.885 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.57 49.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 64.54 112.509 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 75.24 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.13 111.188 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.23 110.836 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.911 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.894 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.146 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.886 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.25 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.51 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.01 111.167 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 72.33 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.44 111.093 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 75.44 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 73.32 111.127 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -118.76 80.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.68 -29.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 73.52 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -29.88 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.875 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.69 -71.6 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 72.43 112.478 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -171.93 43.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 71.25 110.843 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.07 1.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 45.03 112.468 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.11 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.13 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.54 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.885 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.14 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.01 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 74.54 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.21 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.09 -178.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.3 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 75.23 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.764 0.316 . . . . 74.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.07 49.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.02 110.843 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -77.36 -69.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.35 111.134 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 52.91 39.58 29.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -39.05 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 70.52 110.846 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -142.44 25.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.34 110.891 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.862 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.2 111.121 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.895 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.134 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.4 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -68.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.911 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.67 35.99 3.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.48 -129.61 5.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 71.11 112.462 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -171.2 60.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 74.25 110.892 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.5 30.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 73.15 112.47 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.45 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.44 111.157 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.34 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 63.12 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.892 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.912 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.35 111.16 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 64.4 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 74.44 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.35 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.141 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.01 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -107.42 113.88 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -52.57 130.73 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 71.05 111.161 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.48 146.73 23.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.856 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.92 40.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 63.43 112.516 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 52.86 89.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.14 110.881 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.68 -158.79 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 73.11 112.467 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.1 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.1 111.158 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.926 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.122 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.1 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.7 -52.42 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.134 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.764 0.316 . . . . 73.4 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -88.46 54.78 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.76 27.37 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 72.24 111.15 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -124.47 80.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.54 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.9 -57.78 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.851 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.17 -29.74 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 73.44 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 72.02 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 75.45 111.114 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 75.13 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.917 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.45 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.933 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.32 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 150.2 21.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 65.51 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -169.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.862 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.19 105.83 3.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 75.12 112.449 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.92 -69.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 75.53 110.862 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.56 46.31 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 71.0 112.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.4 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.41 111.163 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.884 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.45 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.828 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.03 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.11 111.084 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.11 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 74.5 110.911 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 70.52 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.42 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.924 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.128 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 63.41 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.11 110.872 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.21 111.127 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.101 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.52 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.145 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -178.57 120.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.1 mt -69.7 137.96 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.5 111.172 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.19 -175.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.871 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.92 112.58 3.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 71.44 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.53 88.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.373 . . . . 72.12 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.2 -125.89 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 73.52 112.526 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.1 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.122 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.947 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.24 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.23 165.57 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.2 111.124 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.93 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.338 . . . . 65.34 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.95 48.59 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 62.53 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -124.33 27.41 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.05 111.111 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.06 139.02 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 75.53 110.834 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -148.36 -62.67 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.86 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.07 27.56 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.934 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.41 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 65.05 111.156 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.1 110.922 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.4 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.858 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 75.42 111.133 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.53 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -64.73 -29.41 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.08 -57.91 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.87 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.1 84.85 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 t30 61.7 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 73.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.16 -95.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 72.31 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 71.42 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 75.34 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.01 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.34 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.894 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.91 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.159 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 60.43 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 72.34 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 74.43 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.152 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 73.51 111.115 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.52 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.097 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 74.11 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.46 176.94 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 75.53 110.877 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mt -76.31 -69.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.1 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.68 136.42 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.843 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 -104.65 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 72.13 112.486 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -134.47 66.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.54 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.28 -136.53 8.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 55.14 112.458 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.34 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 72.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.04 110.909 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 74.21 111.121 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 75.51 110.881 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.05 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 63.51 104.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.058 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.3 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.932 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 74.43 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.13 -28.99 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 128.53 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.42 111.141 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.46 132.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.884 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.48 -45.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.11 110.891 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -91.28 -35.5 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 73.32 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.23 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 65.11 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.867 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 75.43 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.884 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.19 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.53 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -64.53 -178.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 59.66 26.03 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 64.33 110.887 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.05 -166.49 42.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 74.15 112.469 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -56.36 166.33 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 65.03 110.847 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.14 -167.39 36.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 63.51 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 74.53 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.21 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 72.2 110.85 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 71.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.31 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 72.33 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.899 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.3 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.34 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.895 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.25 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 63.25 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 63.43 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.144 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 70.05 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -174.15 36.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.56 -62.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.1 111.15 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.27 126.29 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.882 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.53 -42.01 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 72.13 112.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.07 88.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 52.02 110.87 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.86 -47.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 71.15 112.477 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 65.23 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.138 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.32 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.94 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.15 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.4 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.63 -69.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.083 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.888 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 75.21 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 59.67 61.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.901 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 43.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 75.24 111.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.02 59.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 73.01 110.92 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -153.12 42.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -72.82 -27.63 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.15 110.856 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.12 111.169 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.891 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 73.54 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 70.34 111.106 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.33 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.05 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -78.19 62.2 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.66 -177.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.95 28.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.474 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -174.25 118.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 71.32 110.895 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.36 -133.89 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 73.12 112.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.31 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.45 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 71.21 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.843 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.145 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.942 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.33 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.2 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 64.01 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.33 111.158 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.36 113.41 21.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.88 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.6 mt -124.68 -63.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.22 111.098 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -94.57 129.96 41.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 60.24 110.883 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.02 165.17 19.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.733 -0.746 . . . . 74.25 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -78.74 88.67 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 62.22 110.831 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.0 44.21 61.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.78 -0.724 . . . . 74.33 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 71.31 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.154 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.945 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.12 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.54 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.03 111.14 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 74.23 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.32 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.39 174.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.066 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.917 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 71.42 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.1 131.22 31.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.859 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -118.27 -38.43 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 65.53 111.125 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.04 154.02 45.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -91.64 134.34 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 44.15 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 -53.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.853 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 71.52 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 63.12 111.127 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 50.3 110.86 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.32 111.086 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.42 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 155.62 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.01 166.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.891 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.21 90.91 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 70.34 112.435 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.51 172.03 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 62.23 110.898 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.04 51.12 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 51.21 112.511 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.24 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 75.42 111.116 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.1 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.869 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.141 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 73.33 110.948 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 71.44 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.43 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.4 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.2 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.31 111.152 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.54 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -114.4 102.52 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.69 45.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.33 111.169 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.64 -36.2 9.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.829 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 74.42 112.481 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.53 -42.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 71.2 110.873 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.62 31.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 64.11 112.474 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.31 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.122 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.905 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.42 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 75.22 111.145 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 65.1 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.61 131.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.11 111.139 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.906 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.794 0.33 . . . . 73.41 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.11 70.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.55 110.868 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.7 p -76.06 139.79 41.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.128 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.9 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.859 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 100.24 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.862 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -30.65 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.902 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 61.31 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 70.53 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 63.2 110.904 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.101 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.44 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -64.38 157.81 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.925 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.96 134.39 52.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.852 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.13 -57.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 73.25 112.503 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -142.14 174.16 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 63.33 110.863 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.34 52.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 62.4 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.3 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.098 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.892 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.51 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.851 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 72.22 110.911 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.126 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.12 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.33 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 73.22 111.145 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.15 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.24 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.4 111.147 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.34 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.161 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.833 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -99.78 99.19 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.876 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.6 pt -118.27 -178.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.14 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.1 t0 54.19 32.95 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.867 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.8 102.92 2.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 51.24 112.517 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.74 101.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 72.45 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.77 -63.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 60.42 112.501 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 61.22 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.119 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.93 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.5 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 73.3 111.118 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.34 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.85 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.32 111.146 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 74.32 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.1 50.42 18.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.822 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.92 -39.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.4 111.143 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.09 99.95 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.89 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -103.97 131.47 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.839 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.83 -35.92 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 55.45 110.906 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.903 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.43 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 73.25 111.131 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -117.99 48.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.53 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -129.76 -60.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 50.31 110.89 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.43 -19.01 5.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 75.42 112.491 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.57 -25.67 63.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 74.13 110.87 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.47 50.87 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 71.11 112.492 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.13 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 75.14 111.147 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.841 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 72.3 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.865 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.916 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.151 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.32 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.21 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.54 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.1 110.913 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.173 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.875 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.168 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 74.12 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.122 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.23 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 70.4 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 143.14 33.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -83.07 153.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.146 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 177.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.839 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.43 95.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 64.43 112.479 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 63.28 162.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 74.34 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.33 -131.65 2.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 75.33 112.472 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.31 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.125 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.903 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.05 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.135 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.31 114.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 72.03 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 72.41 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -63.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.856 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.85 116.33 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.205 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -85.34 -44.96 12.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.881 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.89 -67.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.855 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.19 21.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 71.44 110.863 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 72.51 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.53 111.116 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.872 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.53 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.176 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.15 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.53 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -52.13 -34.01 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.879 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.2 157.15 28.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 64.04 110.863 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.91 127.68 45.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 60.43 112.494 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 54.58 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 74.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.98 -123.57 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 62.24 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.33 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.44 111.113 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 75.21 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 74.42 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.41 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.842 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 62.22 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.31 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.153 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.935 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.41 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.12 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.04 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.133 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 70.23 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.43 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -162.2 163.65 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.04 110.852 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 tt -81.51 -31.5 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.14 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -142.96 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 110.827 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.95 -42.2 99.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.51 112.499 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.48 26.12 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 61.31 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.46 -148.16 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 75.1 112.477 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 71.52 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 72.4 111.096 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.904 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 74.32 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.108 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -177.08 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 64.14 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 tttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.01 110.925 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 75.03 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.78 82.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.868 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p -136.19 85.53 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.159 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.81 167.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.894 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -126.97 26.99 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -88.35 -29.15 20.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.34 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.878 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.21 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.902 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.1 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.23 111.15 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.15 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.28 64.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 64.13 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 -53.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 63.42 110.916 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.23 -41.1 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 55.14 112.457 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.21 -53.87 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 75.52 110.882 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.05 64.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 72.1 112.488 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.13 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 74.2 111.106 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.33 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.2 110.871 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.939 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.133 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.855 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 75.14 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.924 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 74.25 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.12 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.117 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -114.88 82.77 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -55.06 -27.7 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.12 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.01 -26.22 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.876 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.34 -121.23 5.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 75.44 112.543 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.81 57.91 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 75.42 110.842 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.57 -108.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.674 -0.774 . . . . 65.13 112.434 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 65.11 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.131 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.945 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 74.24 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 75.35 111.137 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.63 103.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.25 111.124 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.804 0.335 . . . . 73.32 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.19 177.98 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 72.2 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t -68.72 153.33 43.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.14 111.131 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -100.07 61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.24 110.916 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.36 144.4 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.836 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.28 37.64 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.86 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 65.35 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 63.02 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.22 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.34 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.51 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 71.53 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -64.35 165.73 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -58.71 142.0 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.842 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.5 -78.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 60.53 112.529 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -121.4 -173.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 74.21 110.889 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.69 52.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 74.11 112.492 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.33 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 75.21 111.135 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.861 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 74.22 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 73.05 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.126 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.888 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 73.23 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.948 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.14 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 74.4 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.44 111.121 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.41 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -74.2 166.2 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 73.04 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.2 174.69 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.093 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -173.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 63.31 110.833 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.06 -69.9 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 63.14 112.465 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -121.36 159.07 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 74.52 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.37 49.9 2.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 72.2 112.502 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 74.44 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 63.33 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 75.23 110.916 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 71.14 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.116 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 72.41 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.45 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -57.73 9.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.24 111.106 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.24 110.893 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 52.51 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 32' ' ' VAL . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.837 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.107 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 61.5 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.43 110.875 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.493 -0.243 . . . . 62.11 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.02 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.481 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.128 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.12 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.911 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 60' ' ' VAL . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 13' ' ' PHE . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 63.24 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HG12 ' A' ' 32' ' ' VAL . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.895 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 60.01 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.34 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 70.52 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.32 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.41 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG23 HD23 ' A' ' 29' ' ' LEU . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.53 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.85 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.24 . . . . 73.01 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 54.23 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 29' ' ' LEU . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.098 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.5 110.954 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.63 ' CE1' HD11 ' A' ' 29' ' ' LEU . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 63.21 111.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 51.23 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 44.43 111.079 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 61.3 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.31 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.942 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 54.21 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.762 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 53.13 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.931 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.244 . . . . 43.34 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.43 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.45 111.126 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.11 110.873 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 55.1 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.42 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 60' ' ' VAL . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.12 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.134 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.41 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.35 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.52 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.13 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.35 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' THR . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.131 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.11 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 29' ' ' LEU . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.02 111.136 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.842 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 61.23 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 65.45 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 29' ' ' LEU . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.934 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 63.33 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.12 111.123 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 50.3 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 61.22 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 63.24 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 43.12 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 70.24 110.841 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.892 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 60.15 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.53 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.45 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.45 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.23 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.02 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.908 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG11 ' CE2' ' A' ' 13' ' ' PHE . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.142 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.22 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 62.43 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 29' ' ' LEU . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.25 111.159 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.844 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 74.41 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.1 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' CD2' ' A' ' 29' ' ' LEU . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 61.13 111.166 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.31 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.52 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 53.34 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 30.24 111.11 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 64.25 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.41 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD13 ' CE ' ' A' ' 69' ' ' MET . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.31 111.144 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.847 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.05 111.112 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 63.33 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 24' ' ' ILE . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 51.44 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.242 . . . . 64.21 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 70.2 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.478 HG23 ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.04 111.101 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' VAL . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.35 110.835 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.764 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.885 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.676 ' HG2' HG11 ' A' ' 45' ' ' VAL . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 28' ' ' ASP . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 72.34 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 64.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.35 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 51.41 110.958 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 71.12 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.676 HG11 ' HG2' ' A' ' 30' ' ' ARG . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 43.44 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 29' ' ' LEU . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.11 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.34 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.878 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 73.13 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.02 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 29' ' ' LEU . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.152 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.13 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.3 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.51 ' CE ' HD13 ' A' ' 9' ' ' ILE . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 53.2 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 70.41 111.116 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.866 0.365 . . . . 72.13 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 HD13 ' SD ' ' A' ' 69' ' ' MET . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 70.45 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.872 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 65.05 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.106 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.91 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.506 -0.238 . . . . 72.13 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.24 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.675 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 61.25 111.108 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.51 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG21 ' A' ' 60' ' ' VAL . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.03 111.129 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.33 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.25 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 9' ' ' ILE . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.888 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 42.13 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.24 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' HD22 ' A' ' 40' ' ' LEU . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.917 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 44' ' ' GLU . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 62.2 110.926 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.35 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' A' ' 40' ' ' LEU . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.1 110.945 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' THR . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 54.3 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 55.11 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.903 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.239 . . . . 72.11 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.45 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.77 HG21 HD12 ' A' ' 29' ' ' LEU . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.54 111.13 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' TYR . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 62.12 111.126 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 9' ' ' ILE . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.911 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 64.2 111.082 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.533 ' HB2' HD12 ' A' ' 9' ' ' ILE . 4.9 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 70.24 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 6' ' ' GLU . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.03 111.127 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.14 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.55 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 62.35 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.921 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.466 -0.254 . . . . 71.14 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.01 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.52 111.089 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 51.05 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.842 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD13 HG21 ' A' ' 60' ' ' VAL . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.897 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 13' ' ' PHE . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.33 111.154 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.33 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.12 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 50.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.1 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.618 HG23 HD23 ' A' ' 29' ' ' LEU . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.55 111.13 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.24 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.14 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 35.11 110.879 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.474 -0.251 . . . . 62.24 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 74.21 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.753 HG21 HD13 ' A' ' 29' ' ' LEU . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.164 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.21 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.55 111.152 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.433 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.886 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.05 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' MET . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.103 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 71.53 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 61.35 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HG11 ' A' ' 32' ' ' VAL . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' GLU . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 65.01 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.885 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 74.33 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.14 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 64.53 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 63.32 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 61.12 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 70.4 110.9 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' VAL . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 52.4 110.952 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.831 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 50.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE2' ' A' ' 13' ' ' PHE . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.05 111.136 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.53 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 54.35 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.01 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.03 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 74.42 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.43 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.04 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 30' ' ' ARG . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 63.3 111.13 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.2 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 71.33 111.174 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.834 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 54.31 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.32 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG21 HD13 ' A' ' 29' ' ' LEU . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.43 111.147 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.671 ' O ' HG23 ' A' ' 66' ' ' VAL . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.53 111.119 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.24 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 40.03 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.092 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 60.43 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 55.53 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 45.42 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CE1' HG11 ' A' ' 32' ' ' VAL . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.33 110.867 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLU . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.21 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.941 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 45.32 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 61.51 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 65.21 111.105 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 60.15 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 43.33 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.34 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 24' ' ' ILE . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.843 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 60' ' ' VAL . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.897 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 63.34 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' ASP . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.148 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.02 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 65.03 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 71.53 110.915 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.1 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 45.21 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 60.14 111.1 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 41' ' ' THR . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.11 111.163 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.21 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' LEU . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.142 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 53.23 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 62.02 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 71.41 110.867 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.518 -0.233 . . . . 75.33 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.33 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 HD22 ' A' ' 29' ' ' LEU . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.31 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 62' ' ' TYR . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 54.32 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 65.32 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 61.01 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 54.21 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.139 179.867 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 75.3 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.22 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 43.22 110.915 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 63.24 111.148 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.23 110.938 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.237 . . . . 64.54 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 72.03 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 65.55 111.188 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.636 ' HB3' HD13 ' A' ' 24' ' ' ILE . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.836 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.764 HD22 HG21 ' A' ' 60' ' ' VAL . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 61.14 110.911 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 49' ' ' ILE . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 61.52 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.146 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 71.35 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 70.13 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 32' ' ' VAL . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.886 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.12 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.51 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 50.41 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.01 111.167 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 51.2 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 41' ' ' THR . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.44 111.093 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 30' ' ' ARG . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.01 111.127 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.871 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.468 -0.253 . . . . 45.03 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 73.31 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 HD22 ' A' ' 29' ' ' LEU . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.44 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.54 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 66' ' ' VAL . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.885 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.14 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.01 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.34 111.141 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.35 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.21 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 55.35 111.124 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 62.52 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.34 110.891 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.862 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 8' ' ' GLU . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.2 111.121 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 11' ' ' GLU . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.4 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.911 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 73.15 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.45 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.44 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.34 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 51.32 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.714 HD22 ' CG2' ' A' ' 60' ' ' VAL . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 13' ' ' PHE . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.35 111.16 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.883 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 50.21 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 72.33 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 55.13 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.01 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 29' ' ' LEU . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.01 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.867 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.467 -0.253 . . . . 73.11 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.1 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.714 ' CG2' HD22 ' A' ' 29' ' ' LEU . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.24 111.158 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.926 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.15 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.55 111.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 72.21 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.4 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.22 111.134 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 54.52 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.5 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.717 HD11 HD21 ' A' ' 36' ' ' LEU . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 71.54 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.45 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.32 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 11' ' ' GLU . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 111.136 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.14 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.25 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 42.54 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.4 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.41 111.163 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.884 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.45 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.04 110.828 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 49' ' ' ILE . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.03 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' CE1' ' A' ' 13' ' ' PHE . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.11 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.11 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.911 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 62.44 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.42 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 50.31 110.924 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.24 110.872 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 41' ' ' THR . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.21 111.127 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 42.05 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.77 HG23 HD23 ' A' ' 29' ' ' LEU . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.101 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.52 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.145 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.838 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 73.52 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.1 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.761 HG21 HD13 ' A' ' 29' ' ' LEU . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.122 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.664 ' O ' HG13 ' A' ' 66' ' ' VAL . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.947 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 71.03 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' TYR . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.34 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.2 111.124 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.829 0.347 . . . . 72.32 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.41 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 69' ' ' MET . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 55.22 111.156 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.1 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.4 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.784 ' CE2' HG11 ' A' ' 32' ' ' VAL . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.02 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 50.34 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 60.14 110.918 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 72.31 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 70.52 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 71.25 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.34 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 65.54 110.894 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 60' ' ' VAL . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.91 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 13' ' ' PHE . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 65.43 111.159 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 53.12 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.3 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 73.55 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.152 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' THR . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.45 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 29' ' ' LEU . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 52.13 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.877 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.458 -0.257 . . . . 55.14 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.34 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 29' ' ' LEU . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.15 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.41 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 29' ' ' LEU . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.04 110.909 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 53.31 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.519 ' HG2' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 71.43 110.881 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.05 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.058 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 63.31 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.23 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 54.3 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 60.44 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.05 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.23 111.19 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 54.05 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.885 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.451 -0.26 . . . . 63.51 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 70.42 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 64.22 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.24 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 63.14 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.801 HD22 HG21 ' A' ' 60' ' ' VAL . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 61.12 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 13' ' ' PHE . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.156 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.12 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 65.11 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.3 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.34 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.895 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 39' ' ' LYS . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 51.51 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 44.13 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.144 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.11 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.873 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.477 -0.249 . . . . 43.42 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 64.14 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.801 HG21 HD22 ' A' ' 29' ' ' LEU . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.138 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.94 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 62' ' ' TYR . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.15 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.4 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.083 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 72.15 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' LEU . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 51.43 111.169 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 32.1 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.891 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 71.24 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' GLU . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.02 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.9 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.437 -0.265 . . . . 24.11 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.31 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.45 111.13 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.15 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.919 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.02 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE1' ' A' ' 13' ' ' PHE . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 32' ' ' VAL . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.942 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.33 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.15 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 51.25 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' THR . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.158 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 63.03 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.61 HG12 HD12 ' A' ' 29' ' ' LEU . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.88 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.482 -0.247 . . . . 74.33 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 55.32 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.708 HG21 ' HG ' ' A' ' 29' ' ' LEU . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 54.4 111.154 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.867 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.945 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.12 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 52.25 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.03 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.066 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 75.33 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 63.11 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 71.4 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 69' ' ' MET . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 62.23 111.127 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 15' ' ' VAL . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 44.44 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 72.2 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 32' ' ' VAL . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.887 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.32 111.086 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.34 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.42 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.24 110.891 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.511 -0.236 . . . . 51.21 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.24 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 72.24 111.116 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 72.34 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 65.31 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 60.02 110.869 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 60' ' ' VAL . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 13' ' ' PHE . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.23 111.141 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.33 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 64.11 110.948 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 44.23 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.4 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.2 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 HD23 ' A' ' 29' ' ' LEU . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.152 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.41 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.42 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.86 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 13.23 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 44.4 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 29' ' ' LEU . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 72.32 111.122 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.66 ' O ' HG13 ' A' ' 66' ' ' VAL . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.905 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.42 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 62' ' ' TYR . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 65.14 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.878 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 33.43 111.139 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.829 0.347 . . . . 75.21 110.902 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 54.35 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 6' ' ' GLU . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 51.52 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.722 ' CD1' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 54.1 110.904 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.101 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.5 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.15 110.925 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.237 . . . . 55.33 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.3 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 13' ' ' PHE . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 50.04 111.098 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.44 110.892 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.51 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.689 ' CD2' HG23 ' A' ' 49' ' ' ILE . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 64.25 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG3' HD11 ' A' ' 49' ' ' ILE . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 71.41 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 52.45 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 31.12 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.12 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.33 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.92 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 51.11 111.145 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.15 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.24 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' THR . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 73.1 111.147 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 55.12 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 60.4 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.689 HG23 ' CD2' ' A' ' 29' ' ' LEU . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.161 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.33 110.833 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.876 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 60.42 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 53.21 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 29' ' ' LEU . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.119 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.33 110.93 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.118 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 62.42 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.34 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 44.53 111.146 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 55.45 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.903 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.43 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.131 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.53 110.878 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 60.31 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.13 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.32 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.33 110.841 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.21 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.865 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.932 HD13 HG11 ' A' ' 60' ' ' VAL . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.31 110.916 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.151 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.11 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.32 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.21 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.54 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 44' ' ' GLU . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.1 110.913 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.173 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.875 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 41' ' ' THR . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.168 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.704 HG23 ' CD2' ' A' ' 29' ' ' LEU . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.122 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.23 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 64.55 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.472 -0.251 . . . . 72.01 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.31 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 29' ' ' LEU . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.125 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.655 ' O ' HG23 ' A' ' 66' ' ' VAL . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.903 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.05 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.135 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 62.13 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.15 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.086 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.23 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.42 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.689 ' CD1' HD21 ' A' ' 36' ' ' LEU . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.52 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.872 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.13 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.53 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 52.21 110.879 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.237 . . . . 53.24 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.33 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.44 111.113 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 63.2 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 61.23 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.41 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.842 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.865 HD13 HG11 ' A' ' 60' ' ' VAL . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.911 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' ASP . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.153 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.935 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.41 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.12 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.04 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 ' CD2' ' A' ' 29' ' ' LEU . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.133 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.43 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.04 110.852 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.477 -0.249 . . . . 75.1 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 53.32 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.865 HG11 HD13 ' A' ' 29' ' ' LEU . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 52.34 111.096 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.904 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 61.13 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.108 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.23 111.123 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.788 0.327 . . . . 74.13 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 63.24 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 63.54 110.878 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.21 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.768 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.02 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 52.13 111.15 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.15 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 72.1 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 63.43 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 60.25 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 24' ' ' ILE . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 51.33 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.33 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.2 110.871 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 60' ' ' VAL . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.939 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.31 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 13' ' ' PHE . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.133 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.3 110.855 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 72.34 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.924 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 55.33 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.21 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 HD23 ' A' ' 29' ' ' LEU . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.117 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.02 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.875 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.434 -0.266 . . . . 34.3 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 54.34 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.841 HG21 HD22 ' A' ' 29' ' ' LEU . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.24 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' VAL . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 65.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 62.35 111.137 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 71.43 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 44.54 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.02 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 64.41 111.124 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.856 0.36 . . . . 74.13 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 61.25 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 61.42 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.22 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 54.35 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.759 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.13 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' GLU . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.102 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 62.14 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.899 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 74.11 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.33 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 25' ' ' SER . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.23 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.861 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.33 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.872 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' CD1' HG21 ' A' ' 60' ' ' VAL . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.898 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.608 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 35.4 110.888 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 25.34 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.948 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.14 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 55.32 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 72.33 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG13 ' CE ' ' A' ' 33' ' ' MET . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.11 111.121 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.41 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 72.22 110.824 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.502 -0.239 . . . . 72.2 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 72.21 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' CD1' ' A' ' 29' ' ' LEU . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 32.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 63.14 110.916 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.116 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 43.45 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 64.44 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.24 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.106 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 73.13 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -172.29 81.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 53.41 110.889 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 63.37 171.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 64.42 111.151 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' H ' HG22 ' A' ' 3' ' ' THR . 1.4 m-20 -137.58 26.42 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.35 110.891 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.22 100.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.819 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 25.92 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 52.51 110.909 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.22 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 70.04 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 32' ' ' VAL . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.837 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.13 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 63.21 111.107 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 61.5 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -124.89 -41.27 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -96.99 29.72 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.56 -143.82 5.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 52.15 112.493 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.33 54.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 74.23 110.893 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.01 19.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 62.11 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.02 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.481 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.128 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.12 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 53.52 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.911 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 60' ' ' VAL . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.52 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 13' ' ' PHE . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 63.24 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HG12 ' A' ' 32' ' ' VAL . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.895 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 60.01 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.34 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.3 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.04 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 70.52 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.32 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.41 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.42 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG23 HD23 ' A' ' 29' ' ' LEU . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.53 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.57 33.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.12 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.2 mm 54.32 60.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.04 111.131 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 51.77 88.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.8 -134.32 9.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 62.03 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.26 163.69 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 73.02 110.824 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.01 -116.59 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 73.01 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 54.23 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 29' ' ' LEU . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.098 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.15 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.5 110.954 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.23 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.63 ' CE1' HD11 ' A' ' 29' ' ' LEU . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 63.21 111.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 51.23 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 62.11 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 64.22 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.63 114.23 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 44.43 111.079 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.922 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 60.3 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.72 96.12 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 71.5 110.837 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -173.94 156.64 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.11 111.155 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.78 -53.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 62.21 110.866 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.6 96.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 53.1 110.908 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -176.98 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 61.3 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.3 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.31 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.942 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 54.21 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.762 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.42 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 53.13 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -133.29 50.76 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.4 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.62 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 70.1 110.89 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.88 -158.8 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 75.24 112.458 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -133.22 40.78 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 74.24 110.882 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.51 34.92 3.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 43.34 112.491 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.43 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.45 111.126 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.11 110.873 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 55.1 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.42 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 60' ' ' VAL . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.12 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.31 111.134 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.11 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.41 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.23 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.35 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.52 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.04 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.33 111.13 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.51 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.35 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' THR . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.131 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.33 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.11 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 29' ' ' LEU . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.02 111.136 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -177.06 -73.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.2 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.2 mt 51.82 75.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 42.13 111.139 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -178.59 37.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 64.31 110.848 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.02 80.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 72.42 112.485 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 54.98 80.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 74.21 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.74 -81.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 61.23 112.473 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 65.45 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 29' ' ' LEU . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.3 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.32 110.934 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 63.33 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.856 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.12 111.123 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.11 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 50.3 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.43 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.4 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 64.31 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -70.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 53.23 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -55.04 -41.66 71.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 64.43 111.134 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.13 93.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.33 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -125.17 105.06 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.86 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -131.23 -62.97 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 61.22 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.44 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 63.24 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.41 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 43.12 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 70.24 110.841 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 65.53 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 156.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.23 110.892 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -51.99 141.41 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 65.35 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.1 18.48 7.24 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 73.53 112.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.96 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 63.43 110.892 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.54 178.41 19.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 60.15 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.53 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.45 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.45 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.23 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.02 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.2 110.908 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.54 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG11 ' CE2' ' A' ' 13' ' ' PHE . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.142 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.2 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.44 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.41 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.22 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.03 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 62.43 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 29' ' ' LEU . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.25 111.159 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.94 89.24 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.14 110.844 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.4 mt -86.44 -72.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 42.15 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -99.12 58.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.864 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.55 -42.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 63.23 112.491 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 57.0 77.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 70.53 110.88 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.33 -19.5 42.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 74.41 112.464 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.1 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' CD2' ' A' ' 29' ' ' LEU . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 61.13 111.166 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.31 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.52 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 53.34 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.5 -36.49 60.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 30.24 111.11 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 72.13 110.897 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 63.32 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -145.7 61.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 65.05 110.934 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -88.98 -25.16 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.34 111.185 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.45 -63.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -173.21 154.01 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.23 110.842 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.75 -55.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 64.25 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.41 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.1 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD13 ' CE ' ' A' ' 69' ' ' MET . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.31 111.144 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.4 110.847 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.05 111.112 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 63.33 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 24' ' ' ILE . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 51.44 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.36 131.89 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.861 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.44 105.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.862 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.09 169.32 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 54.22 112.49 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 62.56 58.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 60.24 110.883 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.18 -175.54 33.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 64.21 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 70.2 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.478 HG23 ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.04 111.101 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.34 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' VAL . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.35 110.835 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.764 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.885 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.676 ' HG2' HG11 ' A' ' 45' ' ' VAL . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.11 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 28' ' ' ASP . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 72.34 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 64.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.35 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 51.41 110.958 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 71.12 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.34 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.42 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.676 HG11 ' HG2' ' A' ' 30' ' ' ARG . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 43.44 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.35 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 29' ' ' LEU . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.11 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.34 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.23 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.01 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.6 pt -59.64 162.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.33 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 120.02 11.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.31 110.862 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.54 -101.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 53.13 112.46 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -120.01 -35.76 3.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.14 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.67 60.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.756 . . . . 73.13 112.472 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.02 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 29' ' ' LEU . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.152 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.13 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.3 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.51 ' CE ' HD13 ' A' ' 9' ' ' ILE . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.45 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 53.2 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.35 153.1 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 70.41 111.116 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 62.01 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.772 0.32 . . . . 70.24 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -72.44 110.42 6.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.72 132.37 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.13 111.14 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.1 166.48 33.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -90.88 124.96 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -157.3 -52.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 72.13 110.879 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 HD13 ' SD ' ' A' ' 69' ' ' MET . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.15 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 70.45 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.872 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.34 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 65.05 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.106 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -93.32 -36.01 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -51.99 -39.35 59.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.873 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 31.36 7.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 74.04 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -113.05 -40.69 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 71.45 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.91 22.94 6.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 72.13 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.24 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.675 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 61.25 111.108 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.51 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.2 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG21 ' A' ' 60' ' ' VAL . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.03 111.129 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.33 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.25 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 9' ' ' ILE . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.888 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 42.13 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.24 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' HD22 ' A' ' 40' ' ' LEU . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.917 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 44' ' ' GLU . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 62.2 110.926 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.35 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.35 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' A' ' 40' ' ' LEU . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.1 110.945 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' THR . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 54.3 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.31 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 55.11 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.28 -173.41 4.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.58 81.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 62.12 111.165 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.53 96.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 54.14 110.838 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.28 144.86 16.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.14 112.494 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.78 119.43 15.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 75.03 110.874 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.96 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 72.11 112.501 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.45 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.77 HG21 HD12 ' A' ' 29' ' ' LEU . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.54 111.13 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 63.14 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' TYR . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 62.12 111.126 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 9' ' ' ILE . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.911 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.79 -48.63 66.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 64.2 111.082 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.93 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 72.02 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -59.98 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.925 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -76.68 70.26 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.112 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.3 156.6 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.875 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.03 -176.62 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 45.11 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' HB2' HD12 ' A' ' 9' ' ' ILE . 4.9 pt-20 -146.3 26.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 70.24 110.892 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 6' ' ' GLU . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.03 111.127 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.14 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.55 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.34 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 62.35 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -120.91 62.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -68.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 71.22 110.874 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.71 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 65.32 112.482 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -136.64 -67.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 73.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.47 13.36 8.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 71.14 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.01 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.52 111.089 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 51.05 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.842 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD13 HG21 ' A' ' 60' ' ' VAL . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.897 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 13' ' ' PHE . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.33 111.154 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.33 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.12 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 50.2 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.33 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.12 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.1 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.618 HG23 HD23 ' A' ' 29' ' ' LEU . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.55 111.13 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.24 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.14 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -176.11 95.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 35.11 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 tt -67.28 145.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 42.55 111.073 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.42 75.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.99 -61.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 74.31 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.54 -46.08 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 52.41 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.01 30.33 7.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 62.24 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 74.21 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.753 HG21 HD13 ' A' ' 29' ' ' LEU . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.164 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.34 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.21 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.55 111.152 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.433 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.886 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.05 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' MET . . . -55.16 -66.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.103 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.34 110.861 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 71.32 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.75 134.54 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.882 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -162.64 142.09 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.138 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.8 99.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.4 110.86 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -171.27 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.872 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.3 -57.97 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.53 110.904 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 61.35 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.21 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.34 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HG11 ' A' ' 32' ' ' VAL . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' GLU . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 65.01 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.85 41.71 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.13 26.11 6.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.888 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.31 74.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 53.24 112.502 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 62.24 102.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 70.23 110.866 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.9 -154.12 7.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.469 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.14 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 64.53 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 63.32 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 61.12 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 54.14 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 70.4 110.9 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' VAL . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 52.4 110.952 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.831 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 50.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE2' ' A' ' 13' ' ' PHE . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.05 111.136 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.53 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 54.35 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.01 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.03 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 74.42 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.43 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.04 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.15 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 30' ' ' ARG . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 63.3 111.13 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.2 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 71.33 111.174 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -179.37 95.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.14 110.834 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -142.24 -67.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.098 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.77 155.93 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.34 110.901 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.91 -153.12 20.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 65.14 112.516 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.35 61.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 61.51 110.849 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.6 36.8 93.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 54.31 112.473 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.32 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG21 HD13 ' A' ' 29' ' ' LEU . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.43 111.147 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.34 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.671 ' O ' HG23 ' A' ' 66' ' ' VAL . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.53 111.119 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.24 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 40.03 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.33 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.0 -58.03 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 74.5 110.873 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.793 0.33 . . . . 72.54 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -155.79 98.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -25.17 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 50.33 111.14 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.23 55.37 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.895 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -88.06 -32.67 18.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.23 110.859 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.37 45.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 60.43 110.911 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.54 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.2 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 55.53 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 45.42 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CE1' HG11 ' A' ' 32' ' ' VAL . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.33 110.867 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLU . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.21 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -113.08 -40.02 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.941 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -128.73 74.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.849 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.55 -167.79 35.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 70.41 112.508 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -136.59 53.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.34 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.06 33.84 5.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 45.32 112.5 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 61.51 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 65.21 111.105 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 60.15 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 43.33 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.34 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 24' ' ' ILE . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.43 110.843 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 60' ' ' VAL . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 63.23 110.897 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 63.34 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' ASP . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 61.33 111.148 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 53.41 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.02 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 65.03 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 71.53 110.915 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.1 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 45.21 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.24 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 60.14 111.1 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 41' ' ' THR . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.11 111.163 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.43 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.21 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' LEU . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.142 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 53.23 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 62.02 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -125.39 44.52 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 71.41 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.42 137.84 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.24 111.13 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 61.79 83.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 74.15 110.87 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -54.12 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 73.22 112.512 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.02 50.83 17.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 75.11 110.84 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.2 -70.57 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.767 -0.73 . . . . 75.33 112.518 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.33 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 HD22 ' A' ' 29' ' ' LEU . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.31 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 62' ' ' TYR . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 54.32 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 65.32 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.44 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 61.01 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 54.21 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.69 -56.51 20.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.42 111.139 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.24 110.945 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.309 . . . . 74.54 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -109.99 52.93 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -107.27 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 62.4 111.15 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.3 126.64 31.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.883 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.16 -51.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.42 110.834 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -169.37 42.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.882 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.22 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.03 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 43.22 110.915 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 63.24 111.148 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -85.14 96.42 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.23 110.938 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.15 77.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.836 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.07 -165.65 15.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 52.41 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -34.0 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 74.11 110.885 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.57 49.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 64.54 112.509 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 72.03 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 65.55 111.188 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.31 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.636 ' HB3' HD13 ' A' ' 24' ' ' ILE . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.02 110.836 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.764 HD22 HG21 ' A' ' 60' ' ' VAL . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 61.14 110.911 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 49' ' ' ILE . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 61.52 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.146 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 71.35 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 70.13 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 32' ' ' VAL . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.886 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.12 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.51 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.51 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 50.41 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.01 111.167 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 51.2 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 41' ' ' THR . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.44 111.093 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 30' ' ' ARG . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.01 111.127 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -118.76 80.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.68 -29.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 63.55 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -29.88 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.875 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.69 -71.6 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 33.02 112.478 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -171.93 43.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 70.53 110.843 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.07 1.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 45.03 112.468 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 73.31 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 HD22 ' A' ' 29' ' ' LEU . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.44 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.54 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 66' ' ' VAL . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.885 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.14 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.01 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.34 111.141 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.35 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.21 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.09 -178.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 55.35 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 75.23 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.764 0.316 . . . . 74.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.07 49.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 61.35 110.843 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -77.36 -69.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.14 111.134 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 52.91 39.58 29.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 64.41 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -39.05 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 62.31 110.846 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -142.44 25.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 62.52 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.34 110.891 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.2 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.12 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.862 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 8' ' ' GLU . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.2 111.121 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 11' ' ' GLU . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.4 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -68.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 70.31 110.911 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.67 35.99 3.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.895 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.48 -129.61 5.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 62.32 112.462 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -171.2 60.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 74.25 110.892 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.5 30.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 73.15 112.47 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.45 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.44 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.52 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.34 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 51.32 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD22 ' CG2' ' A' ' 60' ' ' VAL . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 13' ' ' PHE . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.35 111.16 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.43 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.883 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 50.21 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 72.33 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.34 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 55.13 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.01 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.44 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 29' ' ' LEU . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.45 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.01 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -107.42 113.88 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -52.57 130.73 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 65.43 111.161 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.48 146.73 23.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.856 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.92 40.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 63.43 112.516 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 52.86 89.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.14 110.881 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.68 -158.79 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 73.11 112.467 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.1 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.714 ' CG2' HD22 ' A' ' 29' ' ' LEU . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.24 111.158 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.52 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.926 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.15 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.55 111.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 72.21 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.4 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.7 -52.42 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.22 111.134 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.764 0.316 . . . . 73.04 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -88.46 54.78 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.76 27.37 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 64.52 111.15 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -124.47 80.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.9 -57.78 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.851 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.17 -29.74 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.52 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.5 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.717 HD11 HD21 ' A' ' 36' ' ' LEU . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 71.54 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.45 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.32 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 11' ' ' GLU . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.33 111.136 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.14 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 150.2 21.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.25 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -169.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.862 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.19 105.83 3.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 64.41 112.449 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.92 -69.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 75.53 110.862 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.56 46.31 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 42.54 112.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.4 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.41 111.163 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.884 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.45 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.04 110.828 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 49' ' ' ILE . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.23 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.03 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' CE1' ' A' ' 13' ' ' PHE . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.11 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.51 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.11 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.911 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 62.44 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.42 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.43 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 50.31 110.924 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 70.52 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.24 110.872 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 41' ' ' THR . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.21 111.127 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 42.05 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.77 HG23 HD23 ' A' ' 29' ' ' LEU . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.101 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.52 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.145 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -178.57 120.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.1 mt -69.7 137.96 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.5 111.172 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.19 -175.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.871 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.92 112.58 3.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 70.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.53 88.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.373 . . . . 72.12 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.2 -125.89 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 73.52 112.526 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.1 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.761 HG21 HD13 ' A' ' 29' ' ' LEU . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.122 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.664 ' O ' HG13 ' A' ' 66' ' ' VAL . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.41 110.947 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 71.03 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' TYR . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.24 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.34 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.23 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.23 165.57 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.2 111.124 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.55 110.93 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.338 . . . . 65.34 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.95 48.59 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 60.4 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -124.33 27.41 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.05 111.111 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.06 139.02 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 75.53 110.834 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -148.36 -62.67 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.86 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.07 27.56 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.934 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.41 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.52 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 69' ' ' MET . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 55.22 111.156 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.1 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.4 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.784 ' CE2' HG11 ' A' ' 32' ' ' VAL . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.02 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.04 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 61.31 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.31 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 50.34 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -64.73 -29.41 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 60.14 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.08 -57.91 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.87 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.1 84.85 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 61.7 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 73.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.16 -95.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 72.31 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 70.52 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 71.25 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.34 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.44 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 65.54 110.894 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 60' ' ' VAL . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.91 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 13' ' ' PHE . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 65.43 111.159 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.32 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 53.12 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.3 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.3 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 73.55 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 60.24 111.152 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' THR . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.45 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 29' ' ' LEU . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 52.13 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.46 176.94 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.43 110.877 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mt -76.31 -69.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.1 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.68 136.42 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.843 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 -104.65 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 72.13 112.486 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -134.47 66.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.54 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.28 -136.53 8.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 55.14 112.458 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.34 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 29' ' ' LEU . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.15 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.41 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 29' ' ' LEU . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.04 110.909 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 53.31 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.519 ' HG2' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 71.43 110.881 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.05 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 63.51 104.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.058 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.3 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.932 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 70.44 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.13 -28.99 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 128.53 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.141 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.46 132.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.884 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.48 -45.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.12 110.891 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -91.28 -35.5 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 63.31 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.23 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 54.3 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.13 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 60.44 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.05 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.23 111.19 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 54.05 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -64.53 -178.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.44 110.885 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 59.66 26.03 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.51 110.887 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.05 -166.49 42.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 74.15 112.469 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -56.36 166.33 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 65.03 110.847 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.14 -167.39 36.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 63.51 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 70.42 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 64.22 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.24 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 63.14 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.801 HD22 HG21 ' A' ' 60' ' ' VAL . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 61.12 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 13' ' ' PHE . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.51 111.156 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.12 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 65.11 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.3 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.34 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.895 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 39' ' ' LYS . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.32 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 51.51 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 61.41 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 44.13 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.144 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.42 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.11 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -174.15 36.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.02 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.56 -62.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.1 111.15 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.27 126.29 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.882 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.53 -42.01 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.43 112.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.07 88.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 52.02 110.87 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.86 -47.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 43.42 112.477 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 64.14 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.801 HG21 HD22 ' A' ' 29' ' ' LEU . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.138 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.53 110.94 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.33 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 62' ' ' TYR . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.1 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.15 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.4 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.63 -69.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.42 111.083 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 62.2 110.888 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 64.23 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 59.67 61.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.901 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 43.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 75.24 111.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.02 59.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 73.01 110.92 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -153.12 42.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -72.82 -27.63 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.15 110.856 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' LEU . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 51.43 111.169 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 32.1 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.891 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 71.24 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' GLU . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.42 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.02 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -78.19 62.2 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.66 -177.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.95 28.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 62.31 112.474 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -174.25 118.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 71.11 110.895 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.36 -133.89 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 24.11 112.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.31 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.45 111.13 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.15 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.21 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.31 110.919 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.02 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE1' ' A' ' 13' ' ' PHE . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.22 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 32' ' ' VAL . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.942 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.42 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.33 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.15 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 51.25 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' THR . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.158 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 63.03 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.61 HG12 HD12 ' A' ' 29' ' ' LEU . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.23 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.36 113.41 21.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.88 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.6 mt -124.68 -63.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 64.42 111.098 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -94.57 129.96 41.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 60.24 110.883 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.02 165.17 19.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.733 -0.746 . . . . 74.25 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -78.74 88.67 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 62.22 110.831 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.0 44.21 61.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.78 -0.724 . . . . 74.33 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 55.32 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.708 HG21 ' HG ' ' A' ' 29' ' ' LEU . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 54.4 111.154 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.867 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.945 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.12 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 52.25 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.03 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.39 174.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.066 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.917 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 71.42 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.1 131.22 31.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.859 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -118.27 -38.43 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 51.43 111.125 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.04 154.02 45.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -91.64 134.34 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 43.35 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 -53.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.33 110.853 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 63.11 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 71.4 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 69' ' ' MET . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 62.23 111.127 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 15' ' ' VAL . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 44.44 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 72.2 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 32' ' ' VAL . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.887 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.32 111.086 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.34 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.42 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 155.62 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.24 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.01 166.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.891 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.21 90.91 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 70.34 112.435 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.51 172.03 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 41.44 110.898 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.04 51.12 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 51.21 112.511 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.24 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 72.24 111.116 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 72.34 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 65.31 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 60.02 110.869 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 60' ' ' VAL . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 13' ' ' PHE . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.23 111.141 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 64.4 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.33 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.23 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 64.11 110.948 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.41 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 44.23 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 63.01 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.4 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.3 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.2 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 HD23 ' A' ' 29' ' ' LEU . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.23 111.152 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.41 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.42 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -114.4 102.52 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.31 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.69 45.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.23 111.169 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.64 -36.2 9.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.829 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 74.42 112.481 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.53 -42.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 62.14 110.873 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.62 31.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 13.23 112.474 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 44.4 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 29' ' ' LEU . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 72.32 111.122 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.11 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.66 ' O ' HG13 ' A' ' 66' ' ' VAL . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.905 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.24 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.42 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 62' ' ' TYR . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 65.14 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.01 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.878 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.61 131.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 33.43 111.139 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.22 110.906 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.794 0.33 . . . . 73.41 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.11 70.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.55 110.868 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.7 p -76.06 139.79 41.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 72.21 111.128 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.9 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 53.02 110.859 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 100.24 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 40.34 110.862 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -101.79 -30.65 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.902 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 54.35 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 6' ' ' GLU . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 51.52 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.722 ' CD1' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 54.1 110.904 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.54 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.101 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.5 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -64.38 157.81 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.15 110.925 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.96 134.39 52.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.852 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.13 -57.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 54.33 112.503 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -142.14 174.16 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 63.33 110.863 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.34 52.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 55.33 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.3 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 13' ' ' PHE . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 50.04 111.098 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.44 110.892 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.51 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.13 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.689 ' CD2' HG23 ' A' ' 49' ' ' ILE . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 64.25 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG3' HD11 ' A' ' 49' ' ' ILE . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.04 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 71.41 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 52.45 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 31.12 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.12 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.33 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.92 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.919 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 51.11 111.145 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.15 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.2 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.24 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' THR . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 73.1 111.147 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 55.12 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 60.4 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.689 HG23 ' CD2' ' A' ' 29' ' ' LEU . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.161 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 54' ' ' ILE . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.33 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -99.78 99.19 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 73.11 110.876 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 51' ' ' GLU . 44.6 pt -118.27 -178.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.14 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.1 t0 54.19 32.95 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 51.33 110.867 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.8 102.92 2.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 51.24 112.517 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.74 101.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 72.45 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.77 -63.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 60.42 112.501 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 53.21 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 29' ' ' LEU . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.119 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.33 110.93 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.35 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 64.14 111.118 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.54 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 62.42 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.34 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.85 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 44.53 111.146 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 64.5 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.1 50.42 18.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.14 110.822 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.92 -39.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 73.21 111.143 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.09 99.95 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.89 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -103.97 131.47 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.839 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.83 -35.92 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 55.45 110.906 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.41 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.903 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.43 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.35 111.131 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.23 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -117.99 48.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.53 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -129.76 -60.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 34.5 110.89 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.43 -19.01 5.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 75.42 112.491 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.57 -25.67 63.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 74.01 110.87 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.47 50.87 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 60.31 112.492 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.13 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.32 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.33 110.841 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.21 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.865 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.932 HD13 HG11 ' A' ' 60' ' ' VAL . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.31 110.916 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.151 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.11 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.32 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.21 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.54 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 44' ' ' GLU . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.1 110.913 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.173 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.875 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 41' ' ' THR . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.168 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.704 HG23 ' CD2' ' A' ' 29' ' ' LEU . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.122 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.23 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 64.55 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 143.14 33.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -83.07 153.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.146 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 177.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.839 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.43 95.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 53.5 112.479 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 63.28 162.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 74.34 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.33 -131.65 2.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 72.01 112.472 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.31 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 29' ' ' LEU . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.54 111.125 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.655 ' O ' HG23 ' A' ' 66' ' ' VAL . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.903 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.05 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.135 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 62.13 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.15 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.31 114.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 55.44 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.41 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 54.35 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -63.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.856 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.85 116.33 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 70.44 111.205 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -85.34 -44.96 12.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.21 110.881 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.89 -67.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 62.13 110.855 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.19 21.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 71.23 110.863 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.42 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.689 ' CD1' HD21 ' A' ' 36' ' ' LEU . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.52 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.872 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.24 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.13 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.53 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -52.13 -34.01 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 52.21 110.879 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.2 157.15 28.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 63.24 110.863 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.91 127.68 45.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 53.52 112.494 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 54.58 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 74.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.98 -123.57 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 53.24 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.33 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.44 111.113 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 63.2 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 61.23 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.41 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.842 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.865 HD13 HG11 ' A' ' 60' ' ' VAL . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.911 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' ASP . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.153 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.31 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.935 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.14 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.41 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.12 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.04 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.24 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 ' CD2' ' A' ' 29' ' ' LEU . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.133 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.45 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 60.31 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.43 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -162.2 163.65 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.04 110.852 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 tt -81.51 -31.5 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.11 111.14 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -142.96 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.33 110.827 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.95 -42.2 99.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.51 112.499 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.48 26.12 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 61.31 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.46 -148.16 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 75.1 112.477 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 53.32 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.865 HG11 HD13 ' A' ' 29' ' ' LEU . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 52.34 111.096 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.904 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 61.13 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.108 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.54 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -177.08 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.23 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 tttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.01 110.925 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 75.03 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.78 82.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.868 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p -136.19 85.53 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.31 111.159 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.81 167.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.894 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -126.97 26.99 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.31 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -88.35 -29.15 20.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.13 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 63.24 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.42 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 63.54 110.878 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.21 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.768 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.02 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 52.13 111.15 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.15 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.28 64.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 61.12 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 -53.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 63.42 110.916 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.23 -41.1 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 52.43 112.457 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.21 -53.87 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 75.52 110.882 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.05 64.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 72.1 112.488 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 63.43 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 60.25 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 24' ' ' ILE . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 51.33 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.33 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.2 110.871 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 60' ' ' VAL . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.939 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.31 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 13' ' ' PHE . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.133 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.44 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.3 110.855 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 72.34 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.924 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.935 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 55.33 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.21 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 HD23 ' A' ' 29' ' ' LEU . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.117 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.02 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -114.88 82.77 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -55.06 -27.7 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.32 111.12 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.01 -26.22 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 65.21 110.876 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.34 -121.23 5.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 43.52 112.543 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.81 57.91 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 75.42 110.842 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.57 -108.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.674 -0.774 . . . . 34.3 112.434 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 54.34 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.841 HG21 HD22 ' A' ' 29' ' ' LEU . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.24 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' VAL . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 71.51 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 65.13 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 62.35 111.137 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 71.43 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 44.54 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.33 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.02 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.63 103.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 64.41 111.124 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.03 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.804 0.335 . . . . 70.21 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.19 177.98 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.14 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t -68.72 153.33 43.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.131 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -100.07 61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.24 110.916 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.36 144.4 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.836 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.28 37.64 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 74.13 110.86 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 61.25 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 61.42 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.22 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 54.35 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.759 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.13 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.21 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' GLU . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 111.102 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.23 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 62.14 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -64.35 165.73 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -58.71 142.0 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.842 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.5 -78.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 52.24 112.529 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -121.4 -173.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 55.34 110.889 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.69 52.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 74.11 112.492 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.33 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 25' ' ' SER . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.23 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.861 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.33 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.872 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' CD1' HG21 ' A' ' 60' ' ' VAL . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.898 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.22 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.608 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 35.4 110.888 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 25.34 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.948 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.14 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 55.32 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 72.33 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.33 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG13 ' CE ' ' A' ' 33' ' ' MET . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.11 111.121 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.13 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.15 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.41 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -74.2 166.2 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 72.22 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.2 174.69 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.093 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -173.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 63.31 110.833 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.06 -69.9 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 63.14 112.465 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -121.36 159.07 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 74.52 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.37 49.9 2.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 72.2 112.502 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 72.21 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' CD1' ' A' ' 29' ' ' LEU . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 32.14 111.144 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 63.14 110.916 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 70.34 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.34 111.116 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 43.45 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.13 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 64.44 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.24 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -57.73 9.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.4 111.106 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.893 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 52.509999999999998 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.219999999999999 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.310000000000002 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 70.040000000000006 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 32' ' ' VAL . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.837 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 63.210000000000001 111.107 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 61.5 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.43 110.875 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.493 -0.243 . . . . 62.109999999999999 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.019999999999996 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.481 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.128 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 53.520000000000003 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 72.129999999999995 110.911 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 60' ' ' VAL . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.409999999999997 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 13' ' ' PHE . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 63.240000000000002 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HG12 ' A' ' 32' ' ' VAL . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.895 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 60.009999999999998 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.340000000000003 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 70.519999999999996 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.319999999999993 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.409999999999997 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.340000000000003 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG23 HD23 ' A' ' 29' ' ' LEU . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.85 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.24 . . . . 73.010000000000005 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 54.229999999999997 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 29' ' ' LEU . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 111.098 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.5 110.954 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.109999999999999 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.230000000000004 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.63 ' CE1' HD11 ' A' ' 29' ' ' LEU . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 63.210000000000001 111.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 51.229999999999997 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.210000000000001 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 62.109999999999999 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 44.43 111.079 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 61.299999999999997 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.299999999999997 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.239999999999995 110.942 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 54.210000000000001 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.762 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.350000000000001 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.420000000000002 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 73.030000000000001 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 53.130000000000003 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.400000000000006 110.931 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.244 . . . . 43.340000000000003 112.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.430000000000007 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.450000000000003 111.126 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.109999999999999 110.873 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 55.100000000000001 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.420000000000002 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 60' ' ' VAL . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.119999999999997 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 111.134 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.109999999999999 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.409999999999997 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.230000000000004 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.049999999999997 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.349999999999994 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.520000000000003 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 111.13 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 71.019999999999996 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.349999999999994 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' THR . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 111.131 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.329999999999998 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.510000000000005 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.109999999999999 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 29' ' ' LEU . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.019999999999996 111.136 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 65.140000000000001 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.200000000000003 110.842 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 61.229999999999997 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 65.450000000000003 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 29' ' ' LEU . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.299999999999997 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.319999999999993 110.934 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.439999999999998 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 63.329999999999998 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.856 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 111.123 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.109999999999999 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 50.299999999999997 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.834 0.349 . . . . 61.219999999999999 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.439999999999998 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.319999999999993 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 63.240000000000002 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.409999999999997 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 43.119999999999997 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 70.239999999999995 110.841 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 65.530000000000001 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.030000000000001 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.230000000000004 110.892 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.472 -0.251 . . . . 60.149999999999999 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.530000000000001 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.450000000000003 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.450000000000003 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.020000000000003 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.908 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG11 ' CE2' ' A' ' 13' ' ' PHE . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.120000000000005 111.142 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.439999999999998 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.409999999999997 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.219999999999999 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.030000000000001 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.439999999999998 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 65.439999999999998 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.219999999999999 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 62.43 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.019999999999996 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 29' ' ' LEU . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.25 111.159 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.844 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 74.409999999999997 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.099999999999994 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' CD2' ' A' ' 29' ' ' LEU . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 61.130000000000003 111.166 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.230000000000004 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.310000000000002 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.519999999999996 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 53.340000000000003 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 30.239999999999998 111.11 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.807 0.337 . . . . 64.25 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD13 ' CE ' ' A' ' 69' ' ' MET . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 111.144 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.847 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.049999999999997 111.112 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 63.329999999999998 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 24' ' ' ILE . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 51.439999999999998 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.861 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.242 . . . . 64.209999999999994 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 70.200000000000003 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.478 HG23 ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.039999999999999 111.101 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' VAL . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.350000000000001 110.835 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.764 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.885 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.676 ' HG2' HG11 ' A' ' 45' ' ' VAL . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.549999999999997 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 28' ' ' ASP . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.299999999999997 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 64.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 51.409999999999997 110.958 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 71.120000000000005 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.109999999999999 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.450000000000003 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.676 HG11 ' HG2' ' A' ' 30' ' ' ARG . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.019999999999996 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.349999999999994 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 29' ' ' LEU . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.109999999999999 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.010000000000005 110.878 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.472 -0.251 . . . . 73.129999999999995 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.019999999999996 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 29' ' ' LEU . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 54.439999999999998 111.152 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.340000000000003 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.130000000000003 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.299999999999997 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.51 ' CE ' HD13 ' A' ' 9' ' ' ILE . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 53.200000000000003 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 70.409999999999997 111.116 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.866 0.365 . . . . 72.129999999999995 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 HD13 ' SD ' ' A' ' 69' ' ' MET . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.150000000000006 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 70.450000000000003 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.872 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 65.049999999999997 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.519999999999996 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.106 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.040000000000006 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.91 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.506 -0.238 . . . . 72.129999999999995 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.239999999999995 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.675 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 61.25 111.108 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.510000000000005 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.129999999999995 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.200000000000003 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG21 ' A' ' 60' ' ' VAL . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 111.129 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.329999999999998 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.25 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 9' ' ' ILE . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 110.888 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 42.130000000000003 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.239999999999995 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' HD22 ' A' ' 40' ' ' LEU . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.917 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 44' ' ' GLU . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 62.200000000000003 110.926 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.349999999999994 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.349999999999994 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' A' ' 40' ' ' LEU . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.099999999999994 110.945 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' THR . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 54.299999999999997 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.310000000000002 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.239999999999995 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 55.109999999999999 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.903 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.239 . . . . 72.109999999999999 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.450000000000003 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.77 HG21 HD12 ' A' ' 29' ' ' LEU . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.540000000000006 111.13 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 63.140000000000001 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.239999999999995 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' TYR . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 62.119999999999997 111.126 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 9' ' ' ILE . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.230000000000004 110.911 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.439999999999998 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 64.200000000000003 111.082 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.533 ' HB2' HD12 ' A' ' 9' ' ' ILE . 4.9 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.79 0.329 . . . . 70.239999999999995 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 6' ' ' GLU . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.030000000000001 111.127 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.140000000000001 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.549999999999997 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.340000000000003 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 110.921 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.466 -0.254 . . . . 71.140000000000001 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.010000000000005 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.519999999999996 111.089 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 51.049999999999997 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.842 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD13 HG21 ' A' ' 60' ' ' VAL . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.897 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 13' ' ' PHE . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 111.154 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.329999999999998 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.120000000000005 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.030000000000001 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.349999999999994 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 50.200000000000003 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.329999999999998 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.099999999999994 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.409999999999997 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.618 HG23 HD23 ' A' ' 29' ' ' LEU . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.549999999999997 111.13 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.239999999999995 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.129999999999995 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.140000000000001 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 35.109999999999999 110.879 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.474 -0.251 . . . . 62.240000000000002 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 74.209999999999994 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.753 HG21 HD13 ' A' ' 29' ' ' LEU . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.164 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.210000000000001 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.549999999999997 111.152 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.433 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 110.886 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.519999999999996 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' MET . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.409999999999997 111.103 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 71.530000000000001 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 61.350000000000001 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.209999999999994 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.299999999999997 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.329999999999998 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HG11 ' A' ' 32' ' ' VAL . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' GLU . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 65.010000000000005 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.430000000000007 110.885 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 74.329999999999998 112.469 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.140000000000001 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 64.530000000000001 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 63.32 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 61.119999999999997 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.9 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' VAL . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 52.399999999999999 110.952 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.239999999999995 110.831 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 50.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE2' ' A' ' 13' ' ' PHE . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 111.136 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.530000000000001 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 54.350000000000001 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.010000000000005 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.030000000000001 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 74.420000000000002 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.430000000000007 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.040000000000006 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 64.140000000000001 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.149999999999999 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 30' ' ' ARG . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.13 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 62.329999999999998 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 71.329999999999998 111.174 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.834 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 54.310000000000002 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.319999999999993 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.778 HG21 HD13 ' A' ' 29' ' ' LEU . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 111.147 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.340000000000003 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.671 ' O ' HG23 ' A' ' 66' ' ' VAL . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.319999999999993 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.530000000000001 111.119 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.240000000000002 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 40.030000000000001 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 111.092 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 60.43 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.540000000000006 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 55.530000000000001 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 45.420000000000002 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CE1' HG11 ' A' ' 32' ' ' VAL . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.329999999999998 110.867 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 63.520000000000003 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLU . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.209999999999994 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 110.941 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.5 -0.24 . . . . 45.32 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 61.509999999999998 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 65.209999999999994 111.105 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 60.149999999999999 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 43.329999999999998 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.340000000000003 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 24' ' ' ILE . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 110.843 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 60' ' ' VAL . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 63.229999999999997 110.897 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 63.340000000000003 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.340000000000003 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' ASP . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 111.148 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 65.030000000000001 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 71.530000000000001 110.915 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.099999999999994 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 45.210000000000001 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 60.140000000000001 111.1 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 62.399999999999999 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 41' ' ' THR . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 111.163 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.210000000000001 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.219999999999999 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' LEU . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 111.142 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 53.229999999999997 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 62.020000000000003 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 71.409999999999997 110.867 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.518 -0.233 . . . . 75.329999999999998 112.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.329999999999998 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 HD22 ' A' ' 29' ' ' LEU . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.310000000000002 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.530000000000001 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 62' ' ' TYR . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 54.32 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 65.319999999999993 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 61.009999999999998 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 54.210000000000001 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.139 179.867 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 75.299999999999997 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.219999999999999 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 43.219999999999999 110.915 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 73.540000000000006 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 63.240000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.129999999999995 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.219999999999999 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.938 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.237 . . . . 64.540000000000006 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 72.030000000000001 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 65.549999999999997 111.188 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.329999999999998 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.636 ' HB3' HD13 ' A' ' 24' ' ' ILE . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.019999999999996 110.836 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.764 HD22 HG21 ' A' ' 60' ' ' VAL . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 61.140000000000001 110.911 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 49' ' ' ILE . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 61.520000000000003 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.146 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 71.349999999999994 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 70.129999999999995 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.120000000000005 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 32' ' ' VAL . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.430000000000007 110.886 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.120000000000005 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.510000000000005 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 50.409999999999997 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.010000000000005 111.167 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 51.200000000000003 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.319999999999993 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 41' ' ' THR . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.439999999999998 111.093 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 30' ' ' ARG . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.127 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.109999999999999 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.871 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.468 -0.253 . . . . 45.030000000000001 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 73.310000000000002 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 HD22 ' A' ' 29' ' ' LEU . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.439999999999998 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.539999999999999 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 66' ' ' VAL . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.885 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.140000000000001 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.010000000000005 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.340000000000003 111.141 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.350000000000001 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.340000000000003 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.210000000000001 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 55.350000000000001 111.124 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 62.520000000000003 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.340000000000003 110.891 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.239999999999995 110.862 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 8' ' ' GLU . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.200000000000003 111.121 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 11' ' ' GLU . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.129999999999995 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.400000000000006 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 110.911 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 73.150000000000006 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.450000000000003 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.439999999999998 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.519999999999996 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.340000000000003 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 51.32 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.714 HD22 ' CG2' ' A' ' 60' ' ' VAL . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 13' ' ' PHE . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.350000000000001 111.16 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.430000000000007 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.329999999999998 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.450000000000003 110.883 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 50.210000000000001 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 72.329999999999998 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 55.130000000000003 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.230000000000004 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.010000000000005 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.130000000000003 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 29' ' ' LEU . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.450000000000003 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.010000000000005 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.867 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.467 -0.253 . . . . 73.109999999999999 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.099999999999994 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.714 ' CG2' HD22 ' A' ' 29' ' ' LEU . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.240000000000002 111.158 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.519999999999996 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.926 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 71.340000000000003 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.149999999999999 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.549999999999997 111.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.350000000000001 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.400000000000006 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.219999999999999 111.134 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 54.520000000000003 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.5 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.717 HD11 HD21 ' A' ' 36' ' ' LEU . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 71.540000000000006 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.329999999999998 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.450000000000003 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.319999999999993 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 11' ' ' GLU . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 111.136 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.140000000000001 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.25 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.459 -0.256 . . . . 42.539999999999999 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.400000000000006 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.409999999999997 111.163 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.884 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.450000000000003 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.039999999999999 110.828 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 49' ' ' ILE . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.230000000000004 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.310000000000002 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' CE1' ' A' ' 13' ' ' PHE . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.509999999999998 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.109999999999999 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 110.911 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 62.439999999999998 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.420000000000002 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.430000000000007 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 50.310000000000002 110.924 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 70.519999999999996 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.349999999999994 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.240000000000002 110.872 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 41' ' ' THR . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 111.127 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 42.049999999999997 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.430000000000007 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.77 HG23 HD23 ' A' ' 29' ' ' LEU . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 111.101 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.520000000000003 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 111.145 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 110.838 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.526 -0.23 . . . . 73.519999999999996 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.761 HG21 HD13 ' A' ' 29' ' ' LEU . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.099999999999994 111.122 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.664 ' O ' HG13 ' A' ' 66' ' ' VAL . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.409999999999997 110.947 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 71.030000000000001 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.329999999999998 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' TYR . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.239999999999995 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 61.100000000000001 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.340000000000003 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.200000000000003 111.124 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.829 0.347 . . . . 72.319999999999993 110.934 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.409999999999997 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.519999999999996 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 69' ' ' MET . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 55.219999999999999 111.156 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.400000000000006 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.784 ' CE2' HG11 ' A' ' 32' ' ' VAL . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.019999999999996 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.040000000000006 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 61.310000000000002 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.310000000000002 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 50.340000000000003 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.918 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.474 -0.25 . . . . 72.310000000000002 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 70.519999999999996 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 71.25 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.340000000000003 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 65.540000000000006 110.894 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 60' ' ' VAL . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.91 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 13' ' ' PHE . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 65.430000000000007 111.159 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.319999999999993 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 53.119999999999997 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.299999999999997 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.299999999999997 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 73.549999999999997 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.439999999999998 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 60.240000000000002 111.152 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' THR . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.340000000000003 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 29' ' ' LEU . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.349999999999994 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 52.130000000000003 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.430000000000007 110.877 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.458 -0.257 . . . . 55.140000000000001 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.340000000000003 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 29' ' ' LEU . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.549999999999997 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.150000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.409999999999997 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 29' ' ' LEU . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.040000000000006 110.909 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 53.310000000000002 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.519 ' HG2' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 71.430000000000007 110.881 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 111.058 179.842 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 63.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.229999999999997 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 54.299999999999997 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.129999999999995 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 60.439999999999998 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.519999999999996 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.049999999999997 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.229999999999997 111.19 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 54.049999999999997 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.885 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.451 -0.26 . . . . 63.509999999999998 112.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 70.420000000000002 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.239999999999995 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 63.140000000000001 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.801 HD22 HG21 ' A' ' 60' ' ' VAL . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 61.119999999999997 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 13' ' ' PHE . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.156 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.120000000000005 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.450000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.299999999999997 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.340000000000003 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.030000000000001 110.895 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 39' ' ' LYS . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 61.409999999999997 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 44.130000000000003 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 111.144 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.219999999999999 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.420000000000002 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.109999999999999 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.873 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.477 -0.249 . . . . 43.420000000000002 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 64.140000000000001 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.801 HG21 HD22 ' A' ' 29' ' ' LEU . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 111.138 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.230000000000004 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.530000000000001 110.94 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.430000000000007 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 62' ' ' TYR . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.099999999999994 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 61.119999999999997 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.150000000000006 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.400000000000006 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 111.083 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 72.150000000000006 110.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.219999999999999 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' LEU . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 51.43 111.169 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 32.100000000000001 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.891 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 71.239999999999995 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' GLU . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.420000000000002 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.019999999999996 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 53.299999999999997 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.9 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.437 -0.265 . . . . 24.109999999999999 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.310000000000002 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.450000000000003 111.13 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.149999999999999 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 110.919 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE1' ' A' ' 13' ' ' PHE . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.145 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.219999999999999 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 32' ' ' VAL . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 65.219999999999999 110.942 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.420000000000002 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.329999999999998 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.010000000000005 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.349999999999994 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 72.310000000000002 111.15 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 51.25 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' THR . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.310000000000002 111.158 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 63.030000000000001 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.61 HG12 HD12 ' A' ' 29' ' ' LEU . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 110.88 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.482 -0.247 . . . . 74.329999999999998 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 55.32 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.708 HG21 ' HG ' ' A' ' 29' ' ' LEU . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 54.399999999999999 111.154 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.867 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.349999999999994 110.945 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.120000000000005 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 52.25 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.030000000000001 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.540000000000006 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.066 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.786 0.327 . . . . 75.329999999999998 110.853 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 63.109999999999999 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 69' ' ' MET . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 62.229999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 15' ' ' VAL . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 44.439999999999998 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 32' ' ' VAL . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.887 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 63.240000000000002 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.319999999999993 111.086 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.420000000000002 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.240000000000002 110.891 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.511 -0.236 . . . . 51.210000000000001 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 72.239999999999995 111.116 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 65.310000000000002 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 60.020000000000003 110.869 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 60' ' ' VAL . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.329999999999998 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 13' ' ' PHE . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.141 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 64.400000000000006 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.329999999999998 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 64.109999999999999 110.948 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.409999999999997 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 44.229999999999997 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 63.009999999999998 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.400000000000006 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.540000000000006 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 HD23 ' A' ' 29' ' ' LEU . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.152 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.409999999999997 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.420000000000002 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.310000000000002 110.86 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 13.23 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 44.399999999999999 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 29' ' ' LEU . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 72.319999999999993 111.122 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.109999999999999 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.66 ' O ' HG13 ' A' ' 66' ' ' VAL . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 110.905 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.420000000000002 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 62' ' ' TYR . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 65.140000000000001 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.430000000000007 110.878 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 33.43 111.139 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.829 0.347 . . . . 75.209999999999994 110.902 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.340000000000003 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 54.350000000000001 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 6' ' ' GLU . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.310000000000002 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 51.520000000000003 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.722 ' CD1' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 54.100000000000001 110.904 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.540000000000006 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 111.101 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.5 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.149999999999999 110.925 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.237 . . . . 55.329999999999998 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 13' ' ' PHE . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 50.039999999999999 111.098 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.439999999999998 110.892 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.510000000000005 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.129999999999995 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.689 ' CD2' HG23 ' A' ' 49' ' ' ILE . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 64.25 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG3' HD11 ' A' ' 49' ' ' ILE . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.040000000000006 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 71.409999999999997 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 52.450000000000003 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 31.120000000000001 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.120000000000005 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.329999999999998 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.92 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.919 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 51.109999999999999 111.145 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.149999999999999 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.200000000000003 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.239999999999995 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' THR . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 73.099999999999994 111.147 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 55.119999999999997 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 60.399999999999999 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.689 HG23 ' CD2' ' A' ' 29' ' ' LEU . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 111.161 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.530000000000001 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.329999999999998 110.833 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 73.109999999999999 110.876 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 60.420000000000002 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 53.210000000000001 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 29' ' ' LEU . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.129999999999995 111.119 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.019999999999996 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.93 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 64.140000000000001 111.118 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 62.420000000000002 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.129999999999995 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 44.530000000000001 111.146 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.798 0.332 . . . . 55.450000000000003 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.409999999999997 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.049999999999997 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.903 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.350000000000001 111.131 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.530000000000001 110.878 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 60.310000000000002 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.129999999999995 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.841 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 53.119999999999997 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.019999999999996 110.865 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.932 HD13 HG11 ' A' ' 60' ' ' VAL . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.310000000000002 110.916 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 111.151 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.109999999999999 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.319999999999993 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.040000000000006 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.209999999999994 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 44' ' ' GLU . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.099999999999994 110.913 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 64.299999999999997 111.173 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.420000000000002 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.010000000000005 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.875 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 41' ' ' THR . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.310000000000002 111.168 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.439999999999998 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 71.310000000000002 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.704 HG23 ' CD2' ' A' ' 29' ' ' LEU . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.040000000000006 111.122 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.230000000000004 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 64.549999999999997 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.472 -0.251 . . . . 72.010000000000005 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.310000000000002 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 29' ' ' LEU . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.540000000000006 111.125 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.439999999999998 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.655 ' O ' HG23 ' A' ' 66' ' ' VAL . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.903 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.049999999999997 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.420000000000002 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.135 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 62.130000000000003 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.150000000000006 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.510000000000005 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 55.439999999999998 111.086 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 71.230000000000004 110.863 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.209999999999994 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.689 ' CD1' HD21 ' A' ' 36' ' ' LEU . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.519999999999996 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 110.872 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.239999999999995 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.239999999999995 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.530000000000001 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 52.210000000000001 110.879 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.237 . . . . 53.240000000000002 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.329999999999998 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.439999999999998 111.113 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 63.200000000000003 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 61.229999999999997 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.409999999999997 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.842 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.865 HD13 HG11 ' A' ' 60' ' ' VAL . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 61.399999999999999 110.911 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.240000000000002 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' ASP . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 111.153 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.030000000000001 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.420000000000002 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.310000000000002 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.935 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.140000000000001 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.409999999999997 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.230000000000004 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.040000000000006 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 ' CD2' ' A' ' 29' ' ' LEU . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.450000000000003 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 60.310000000000002 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.430000000000007 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.039999999999999 110.852 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.477 -0.249 . . . . 75.099999999999994 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 53.32 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.865 HG11 HD13 ' A' ' 29' ' ' LEU . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 52.340000000000003 111.096 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.340000000000003 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.904 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 61.130000000000003 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.230000000000004 111.108 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.129999999999995 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.540000000000006 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.229999999999997 111.123 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.788 0.327 . . . . 74.129999999999995 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 63.240000000000002 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 63.539999999999999 110.878 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.210000000000001 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.768 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 52.130000000000003 111.15 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.150000000000006 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 61.119999999999997 110.904 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.488 -0.245 . . . . 72.099999999999994 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 63.43 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 60.25 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 24' ' ' ILE . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.857 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 51.329999999999998 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.200000000000003 110.871 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 60' ' ' VAL . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.939 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 13' ' ' PHE . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 111.133 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.439999999999998 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.299999999999997 110.855 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 72.340000000000003 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.924 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.935 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 55.329999999999998 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.209999999999994 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.019999999999996 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 HD23 ' A' ' 29' ' ' LEU . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.117 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.019999999999996 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.875 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.434 -0.266 . . . . 34.299999999999997 112.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 54.340000000000003 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.841 HG21 HD22 ' A' ' 29' ' ' LEU . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' VAL . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.329999999999998 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 71.510000000000005 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 65.129999999999995 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 62.350000000000001 111.137 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 71.430000000000007 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 44.539999999999999 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.329999999999998 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.019999999999996 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 111.124 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.856 0.36 . . . . 74.129999999999995 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 61.25 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 61.420000000000002 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 54.350000000000001 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.759 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.129999999999995 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.209999999999994 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' GLU . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 111.102 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 62.140000000000001 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.230000000000004 110.899 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.492 -0.243 . . . . 74.109999999999999 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.329999999999998 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 25' ' ' SER . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.230000000000004 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.861 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.329999999999998 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.450000000000003 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.872 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' CD1' HG21 ' A' ' 60' ' ' VAL . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.129999999999995 110.898 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.608 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 35.399999999999999 110.888 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 25.34 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.948 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.420000000000002 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.140000000000001 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 55.32 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.120000000000005 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.140000000000001 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG13 ' CE ' ' A' ' 33' ' ' MET . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.109999999999999 111.121 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 72.219999999999999 110.824 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.502 -0.239 . . . . 72.200000000000003 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 72.209999999999994 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' CD1' ' A' ' 29' ' ' LEU . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 32.140000000000001 111.144 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.916 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 70.340000000000003 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 111.116 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 43.450000000000003 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.129999999999995 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 64.439999999999998 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.240000000000002 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 111.106 179.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.772 0.32 . . . . 73.129999999999995 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -172.29 81.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 53.409999999999997 110.889 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER 63.37 171.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 111.151 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' H ' HG22 ' A' ' 3' ' ' THR . 1.4 m-20 -137.58 26.42 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 61.350000000000001 110.891 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.22 100.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.230000000000004 110.819 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 25.92 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 52.509999999999998 110.909 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 -30.58 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.019999999999996 110.854 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.35 -16.09 59.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.219999999999999 110.883 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.5 mt -82.45 -39.07 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.310000000000002 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -51.96 -42.0 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.828 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.4 mt-10 -80.72 -24.14 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 70.040000000000006 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.88 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.114 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.719 ' CE2' HG11 ' A' ' 32' ' ' VAL . 19.1 m-85 -85.78 -19.42 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.837 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -84.35 -35.56 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 75.129999999999995 110.902 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 11' ' ' GLU . 79.5 t -79.54 -25.49 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 63.210000000000001 111.107 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.02 -37.18 75.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.89 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.64 128.56 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 61.5 110.866 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -124.89 -41.27 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 44.43 110.875 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -96.99 29.72 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 71.040000000000006 110.86 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.56 -143.82 5.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 52.149999999999999 112.493 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.33 54.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.893 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.18 28.01 19.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 62.109999999999999 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -151.04 121.95 7.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.856 0.36 . . . . 72.019999999999996 110.936 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.481 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pt -108.03 172.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.128 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.73 168.09 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.858 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.06 -43.88 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.116 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.2 2.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 53.520000000000003 111.114 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 32' ' ' VAL . 18.8 m-20 -56.4 -30.02 62.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 72.129999999999995 110.911 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD22 HG21 ' A' ' 60' ' ' VAL . 14.9 tp -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.409999999999997 110.886 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -54.91 -29.21 55.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.519999999999996 110.859 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.09 -62.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.409999999999997 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG11 ' CE2' ' A' ' 13' ' ' PHE . 41.4 t -53.77 -41.61 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 63.240000000000002 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.65 -58.3 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.891 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -59.14 -20.89 57.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 111.155 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -121.54 89.13 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 110.857 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.686 HD12 HG12 ' A' ' 32' ' ' VAL . 1.6 mt -179.15 -57.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.895 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.66 77.45 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 60.009999999999998 112.462 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.28 172.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 75.340000000000003 110.887 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 124.55 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.943 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.78 171.8 7.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 63.039999999999999 110.926 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -94.82 145.56 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 111.151 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -53.91 -28.39 36.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 70.519999999999996 110.893 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -48.61 23.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 72.409999999999997 110.877 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -59.13 -44.56 92.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 73.319999999999993 110.883 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.7 -36.13 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 61.409999999999997 111.139 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -52.09 -38.97 58.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.834 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.89 -27.48 43.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 62.340000000000003 110.894 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -45.09 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.420000000000002 110.875 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG23 HD23 ' A' ' 29' ' ' LEU . 55.3 mt -70.67 -28.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -56.74 -34.65 67.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.855 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -89.31 -51.62 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.949 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.22 59.37 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.340000000000003 111.069 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -174.57 33.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.2 mm 54.32 60.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.039999999999999 111.131 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 51.77 88.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 75.209999999999994 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.8 -134.32 9.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 62.030000000000001 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.26 163.69 32.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 73.019999999999996 110.824 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 144.01 -116.59 0.98 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 73.010000000000005 112.501 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -104.04 124.11 48.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 54.229999999999997 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 HD22 ' A' ' 29' ' ' LEU . 21.5 t -95.15 143.38 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 111.098 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -84.62 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.150000000000006 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.8 t80 -61.16 -48.85 79.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.5 110.954 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.88 -53.36 57.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 72.109999999999999 110.925 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -51.82 -56.58 13.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.230000000000004 110.863 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.63 ' CE1' HD11 ' A' ' 29' ' ' LEU . 1.3 t80 -51.6 -30.36 20.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.25 110.879 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 62' ' ' TYR . 95.7 t -80.97 -34.05 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 63.210000000000001 111.112 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.95 -47.86 84.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 51.229999999999997 110.911 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -31.79 72.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.210000000000001 110.867 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 62.109999999999999 110.903 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.32 -45.91 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 64.219999999999999 111.169 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.63 114.23 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 44.43 111.079 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.129999999999995 110.922 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.767 0.318 . . . . 60.299999999999997 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.72 96.12 5.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 71.5 110.837 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -173.94 156.64 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 54.109999999999999 111.155 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.78 -53.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.866 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.6 96.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 53.100000000000001 110.908 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -176.98 -42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 61.299999999999997 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -76.58 -27.0 55.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 62.299999999999997 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.89 -14.76 60.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.878 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -81.36 -38.06 16.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 111.13 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -56.02 -41.19 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.319999999999993 110.878 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.626 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 tt0 -80.64 -26.36 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 72.239999999999995 110.942 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.36 81.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 54.210000000000001 111.131 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.762 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -83.13 -18.74 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.350000000000001 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -37.16 22.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 73.239999999999995 110.852 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.9 t -71.95 -25.01 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.420000000000002 111.156 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -29.9 62.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 73.030000000000001 110.85 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -94.38 121.85 36.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 53.130000000000003 110.898 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -133.29 50.76 2.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.400000000000006 110.931 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -178.62 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.89 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.88 -158.8 4.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 75.239999999999995 112.458 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -133.22 40.78 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 74.239999999999995 110.882 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 102.51 34.92 3.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 43.340000000000003 112.491 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -148.97 122.03 8.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 74.430000000000007 110.903 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.33 173.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.507 . . . . 62.450000000000003 111.126 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -93.75 167.72 11.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.109999999999999 110.873 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.5 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 55.100000000000001 111.071 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.17 -61.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 73.420000000000002 111.064 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.618 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.6 m-20 -55.37 -30.04 59.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.872 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 60' ' ' VAL . 15.3 tp -69.87 -57.77 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.420000000000002 110.882 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.7 ttm-85 -56.26 -30.28 62.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.882 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -67.75 -62.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.119999999999997 110.857 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.9 t -51.78 -37.71 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 72.310000000000002 111.134 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.9 mtt -65.37 -58.36 6.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.109999999999999 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 m -60.78 -23.63 65.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 65.409999999999997 111.095 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -79.24 -66.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 75.230000000000004 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 169.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 74.049999999999997 110.921 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.8 108.33 1.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 71.349999999999994 112.484 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -173.05 92.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 62.520000000000003 110.846 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -77.0 78.77 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 73.040000000000006 110.93 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.7 mt -136.43 147.24 47.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 110.907 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.6 p -84.12 170.52 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.329999999999998 111.13 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.48 -31.77 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 74.510000000000005 110.886 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -73.14 -45.75 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 71.019999999999996 110.902 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.24 -34.93 79.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 72.349999999999994 110.849 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' THR . 60.3 t -68.04 -34.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 111.131 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.93 68.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 64.329999999999998 110.863 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -28.15 63.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.510000000000005 110.963 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -43.66 98.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 72.109999999999999 110.889 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.564 HG23 ' CD2' ' A' ' 29' ' ' LEU . 39.0 mt -68.68 -23.46 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 74.019999999999996 111.136 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -42.03 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.871 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.24 -38.19 17.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 65.140000000000001 110.863 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.95 59.03 5.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.086 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -177.06 -73.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 74.200000000000003 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.2 mt 51.82 75.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 42.130000000000003 111.139 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -178.59 37.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 110.848 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.51 32.02 80.46 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 72.420000000000002 112.485 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 54.98 80.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 74.209999999999994 110.916 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.74 -81.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 61.229999999999997 112.473 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -128.16 146.87 50.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.796 0.332 . . . . 65.450000000000003 110.909 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 29' ' ' LEU . 41.1 t -103.49 143.14 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -78.76 125.23 29.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 74.299999999999997 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 66' ' ' VAL . 8.2 t80 -58.83 -35.13 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 64.319999999999993 110.934 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.19 -51.51 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 74.439999999999998 110.894 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -51.9 -54.77 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 63.329999999999998 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 2.0 t80 -51.6 -30.47 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.856 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 62' ' ' TYR . 87.6 t -83.69 -31.57 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 111.123 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.12 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 72.109999999999999 110.913 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 4.6 ttt -66.73 -32.32 73.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 110.883 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -44.09 97.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 72.109999999999999 110.927 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.98 78.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 50.299999999999997 111.095 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.31 -25.43 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 65.25 111.117 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 74.400000000000006 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.764 0.316 . . . . 64.310000000000002 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -70.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 53.229999999999997 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -55.04 -41.66 71.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 111.134 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 t70 60.13 93.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.329999999999998 110.885 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -125.17 105.06 8.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 61.530000000000001 110.86 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -131.23 -62.97 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 61.219999999999999 110.909 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.71 -29.23 69.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 65.439999999999998 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -15.84 59.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.319999999999993 110.874 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.2 mt -82.58 -39.21 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.139 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -52.08 -42.99 63.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 63.240000000000002 110.815 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.761 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.7 tt0 -80.88 -24.64 38.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 70.409999999999997 110.91 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.81 85.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 43.119999999999997 111.108 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.8 m-85 -81.11 -19.01 44.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 70.239999999999995 110.841 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -81.13 -36.27 30.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.4 t -57.48 -23.32 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 63.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.14 -67.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 65.530000000000001 110.893 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.42 148.02 47.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.030000000000001 110.876 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 156.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 70.230000000000004 110.892 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -51.99 141.41 18.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 65.349999999999994 110.839 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.1 18.48 7.24 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 73.530000000000001 112.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 56.96 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 63.43 110.892 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.54 178.41 19.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.767 . . . . 60.149999999999999 112.472 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.93 150.59 20.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.919 0.39 . . . . 75.530000000000001 110.929 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.06 171.93 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 73.450000000000003 111.141 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 165.83 12.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.849 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.56 20.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 73.450000000000003 111.149 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.24 2.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 111.116 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.2 m-20 -56.63 -32.89 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.020000000000003 110.856 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.644 ' CD2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -65.57 -59.05 4.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.200000000000003 110.908 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -61.66 -35.71 78.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.852 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -63.14 -66.63 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.540000000000006 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG11 ' CE2' ' A' ' 13' ' ' PHE . 46.0 t -53.37 -34.78 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.120000000000005 111.142 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.7 mmm -66.46 -58.33 5.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.901 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.0 m -62.04 -21.75 65.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 111.185 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.19 -62.59 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.878 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -52.13 -39.34 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 63.439999999999998 110.929 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.18 115.2 0.72 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 54.409999999999997 112.531 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -174.45 87.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 74.219999999999999 110.834 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -80.17 78.29 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 110.92 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -142.9 175.96 9.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.030000000000001 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.9 p -91.43 154.77 18.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.22 -29.56 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 63.439999999999998 110.9 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.78 -42.22 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 65.439999999999998 110.919 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -67.69 -34.62 77.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 74.219999999999999 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.71 -33.45 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 62.43 111.081 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -53.4 -57.37 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.52 -27.16 69.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.924 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -42.27 98.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.019999999999996 110.872 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG12 HD12 ' A' ' 29' ' ' LEU . 57.4 mt -68.94 -24.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.25 111.159 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.16 -38.96 81.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.848 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -75.34 -54.09 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 63.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.26 -28.26 26.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.125 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.94 89.24 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 71.140000000000001 110.844 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.4 mt -86.44 -72.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 42.149999999999999 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -99.12 58.83 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 74.340000000000003 110.864 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -141.55 -42.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 63.229999999999997 112.491 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 57.0 77.72 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 70.530000000000001 110.88 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.33 -19.5 42.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 74.409999999999997 112.464 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -124.41 144.34 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 74.099999999999994 110.906 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' CD2' ' A' ' 29' ' ' LEU . 21.5 t -97.45 144.93 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 61.130000000000003 111.166 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.34 125.03 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.230000000000004 110.869 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -60.42 -21.8 62.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 75.519999999999996 110.948 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.87 -19.05 27.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 73.310000000000002 110.915 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.38 -58.95 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.875 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -51.95 -50.06 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 110.88 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.94 -41.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 73.519999999999996 111.162 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.871 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -48.72 29.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 72.439999999999998 110.866 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.5 mmt -57.98 -42.45 85.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.239999999999995 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.8 m -69.37 -28.55 66.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 53.340000000000003 111.158 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.5 -36.49 60.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 30.239999999999998 111.11 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tttt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 72.129999999999995 110.897 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 63.32 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -145.7 61.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 65.049999999999997 110.934 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 m -88.98 -25.16 22.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.340000000000003 111.185 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.45 -63.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 110.853 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -173.21 154.01 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.230000000000004 110.842 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.75 -55.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 64.25 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.28 -39.08 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 62.409999999999997 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -16.28 59.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.100000000000001 110.886 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD13 ' CE ' ' A' ' 69' ' ' MET . 68.5 mt -78.72 -37.72 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 111.144 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.66 74.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.849 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.701 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.5 tt0 -86.93 -31.95 20.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.847 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.42 62.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 111.111 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -91.34 -18.71 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 110.883 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -84.91 -28.64 25.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.923 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.3 t -72.89 -24.21 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.049999999999997 111.112 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -86.08 -26.59 25.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 63.329999999999998 110.847 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' OD2' HG23 ' A' ' 24' ' ' ILE . 13.8 t70 -91.84 96.91 10.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 51.439999999999998 110.823 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.36 131.89 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 75.219999999999999 110.861 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.44 105.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 75.540000000000006 110.862 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.09 169.32 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 54.219999999999999 112.49 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 62.56 58.35 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 60.240000000000002 110.883 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.18 -175.54 33.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 64.209999999999994 112.494 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.67 154.93 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 70.200000000000003 110.918 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.478 HG23 ' OD2' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -107.2 170.21 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.039999999999999 111.101 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 p -91.52 165.57 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.835 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.6 13.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.340000000000003 111.124 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.28 -60.96 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.087 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.568 ' O ' HG23 ' A' ' 32' ' ' VAL . 39.5 m-20 -58.44 -33.99 70.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 61.350000000000001 110.835 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.764 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -63.37 -61.92 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.885 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.676 ' HG2' HG11 ' A' ' 45' ' ' VAL . 1.8 tmt_? -58.53 -29.14 66.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 64.549999999999997 110.865 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -67.19 -65.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 110.867 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 28' ' ' ASP . 25.7 t -54.4 -38.2 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 111.155 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.5 mmm -66.22 -58.34 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 72.299999999999997 110.916 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -59.18 -20.82 57.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 64.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -127.97 90.31 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.3 mt -165.85 -65.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 51.409999999999997 110.958 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.58 -102.47 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 61.25 112.484 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -86.9 161.96 17.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.948 0.404 . . . . 71.120000000000005 110.874 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -89.59 126.27 35.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.3 176.56 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.310000000000002 110.861 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.1 p -90.0 149.11 22.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 73.109999999999999 111.151 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -56.91 -31.26 64.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 110.87 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.55 -35.77 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 72.450000000000003 110.883 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -41.11 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.819 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.676 HG11 ' HG2' ' A' ' 30' ' ' ARG . 58.8 t -63.65 -33.58 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.019999999999996 111.128 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -63.46 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 43.439999999999998 110.843 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.87 -33.02 72.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.891 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.55 -40.72 75.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 71.349999999999994 110.883 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.48 HG12 HD12 ' A' ' 29' ' ' LEU . 49.3 mt -69.28 -25.23 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.109999999999999 111.129 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -37.88 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 110.833 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.87 -40.32 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.881 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.89 58.52 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 111.099 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -178.23 104.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 74.010000000000005 110.878 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.6 pt -59.64 162.96 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.329999999999998 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.59 120.02 11.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.310000000000002 110.862 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -178.54 -101.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 53.130000000000003 112.46 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -120.01 -35.76 3.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.140000000000001 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.67 60.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.756 . . . . 73.129999999999995 112.472 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -128.24 134.91 49.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 74.019999999999996 110.893 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 29' ' ' LEU . 21.4 t -96.33 145.25 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 54.439999999999998 111.152 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.58 147.1 26.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.340000000000003 110.885 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -53.5 -44.21 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.929 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.66 -51.01 71.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.837 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -51.99 -52.28 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.130000000000003 110.87 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -51.95 -46.83 64.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.58 -23.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.132 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.81 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -28.89 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 64.299999999999997 110.865 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.51 ' CE ' HD13 ' A' ' 9' ' ' ILE . 23.5 tpp -76.8 -35.64 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.907 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.6 p -79.34 -29.24 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.438 . . . . 53.200000000000003 111.165 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.35 153.1 30.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 70.409999999999997 111.116 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 62.009999999999998 110.882 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.772 0.32 . . . . 70.239999999999995 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -72.44 110.42 6.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.864 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.72 132.37 9.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.129999999999995 111.14 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.1 166.48 33.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 75.510000000000005 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -90.88 124.96 35.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -157.3 -52.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 72.129999999999995 110.879 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.7 -31.65 69.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.914 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -16.32 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.886 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 HD13 ' SD ' ' A' ' 69' ' ' MET . 84.2 mt -78.34 -35.12 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.150000000000006 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -36.4 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 70.450000000000003 110.876 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.1 mm-40 -88.33 -33.01 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.872 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.72 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -94.32 -19.18 20.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 65.049999999999997 110.913 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -35.14 22.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.519999999999996 110.912 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.4 t -61.6 -22.77 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 111.106 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.52 -26.01 59.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 71.040000000000006 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -81.4 100.91 9.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.844 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -93.32 -36.01 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 75.340000000000003 110.91 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -51.99 -39.35 59.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.129999999999995 110.873 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.36 31.36 7.59 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 74.040000000000006 112.488 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -113.05 -40.69 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 71.450000000000003 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.91 22.94 6.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 72.129999999999995 112.506 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -138.74 122.05 17.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 75.239999999999995 110.92 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.675 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.16 169.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 61.25 111.108 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.27 163.42 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.21 -33.22 12.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 74.510000000000005 111.098 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.92 -61.55 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 75.129999999999995 111.097 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.686 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.9 m-20 -55.57 -31.31 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.200000000000003 110.862 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG21 ' A' ' 60' ' ' VAL . 5.7 tt -67.87 -58.66 4.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.964 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -51.64 -30.15 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 71.25 110.868 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -53.65 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.908 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.9 t -58.31 -43.07 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 111.129 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.74 -58.34 5.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 61.329999999999998 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.2 m -58.29 -23.41 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.25 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -83.85 -65.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.913 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 9' ' ' ILE . 8.3 mp -53.35 172.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 110.888 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.97 -28.04 23.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.718 -0.753 . . . . 42.130000000000003 112.549 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -78.48 59.58 2.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.946 0.403 . . . . 71.239999999999995 110.878 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' HD22 ' A' ' 40' ' ' LEU . 15.3 ttmm -88.29 110.56 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 110.917 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 44' ' ' GLU . 4.3 mm? -118.43 175.9 5.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 62.200000000000003 110.926 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 20.3 p -89.55 165.97 13.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 72.349999999999994 111.139 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.42 -30.23 39.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 72.349999999999994 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -78.51 -51.91 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.912 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' A' ' 40' ' ' LEU . 8.3 mm-40 -59.47 -38.19 80.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.099999999999994 110.945 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' THR . 87.3 t -68.66 -34.59 65.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 74.430000000000007 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -40.76 62.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 55.5 110.852 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.85 -34.59 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.888 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -47.4 85.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 54.299999999999997 110.889 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.01 -29.59 37.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 64.310000000000002 111.121 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -30.35 41.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.239999999999995 110.864 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.35 -35.55 11.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.835 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.31 -26.53 66.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 55.109999999999999 111.117 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.28 -173.41 4.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.903 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.58 81.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 62.119999999999997 111.165 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.53 96.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 54.140000000000001 110.838 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.28 144.86 16.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 73.140000000000001 112.494 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -71.78 119.43 15.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.889 0.376 . . . . 75.030000000000001 110.874 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -157.31 -92.96 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 72.109999999999999 112.501 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -128.51 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 72.450000000000003 110.882 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.77 HG21 HD12 ' A' ' 29' ' ' LEU . 21.7 t -95.09 148.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.540000000000006 111.13 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -104.08 150.66 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 63.140000000000001 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.1 t80 -54.31 -49.99 68.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.77 -51.82 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.239999999999995 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.87 -52.09 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.858 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -56.1 -25.62 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.886 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 62' ' ' TYR . 48.4 t -82.62 -41.09 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 62.119999999999997 111.126 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.05 -47.34 86.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.902 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.1 mmt -69.0 -49.97 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.863 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HD13 ' A' ' 9' ' ' ILE . 9.0 mmt -55.31 -45.68 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 75.230000000000004 110.911 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -73.32 -37.09 66.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.439999999999998 111.11 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.79 -48.63 66.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 64.200000000000003 111.082 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 71.540000000000006 110.93 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.807 0.337 . . . . 72.019999999999996 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -59.98 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.925 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.6 p -76.68 70.26 3.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 62.240000000000002 111.112 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.3 156.6 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.875 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.03 -176.62 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 45.109999999999999 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' HB2' HD12 ' A' ' 9' ' ' ILE . 4.9 pt-20 -146.3 26.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 70.239999999999995 110.892 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -78.94 -35.23 43.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -6.4 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD12 ' HB2' ' A' ' 6' ' ' GLU . 88.2 mt -85.3 -41.16 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 70.030000000000001 111.127 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -67.18 -28.54 68.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 75.230000000000004 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.4 OUTLIER -84.18 -28.14 27.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.875 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.08 80.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.140000000000001 111.116 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.4 m-85 -82.18 -19.28 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.549999999999997 110.876 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -37.37 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.893 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 11' ' ' GLU . 84.3 t -57.33 -23.22 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 73.340000000000003 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -83.47 -36.79 23.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.4 131.5 47.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 110.877 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -120.91 62.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 73.340000000000003 110.921 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.32 -68.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 71.219999999999999 110.874 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 147.71 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 65.319999999999993 112.482 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -136.64 -67.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 73.150000000000006 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.47 13.36 8.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 71.140000000000001 112.466 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -107.04 122.02 45.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 74.010000000000005 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.23 174.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 72.519999999999996 111.089 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.95 170.79 8.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 51.049999999999997 110.817 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.68 32.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 52.32 111.142 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.15 -61.12 2.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 111.134 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.6 m-20 -54.52 -30.0 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.842 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD13 HG21 ' A' ' 60' ' ' VAL . 14.2 tp -70.79 -55.19 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.897 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -57.08 -33.13 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.68 -62.74 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 13' ' ' PHE . 53.3 t -54.5 -41.92 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.329999999999998 111.154 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -58.45 5.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 110.914 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.9 m -58.89 -21.44 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.142 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -83.97 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.898 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.35 109.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 110.921 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.86 -170.99 29.94 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.688 -0.768 . . . . 64.329999999999998 112.48 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -124.88 -71.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 74.120000000000005 110.918 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.15 97.56 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 73.030000000000001 110.901 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -141.43 154.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.349999999999994 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -112.74 153.11 28.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 50.200000000000003 111.146 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.66 -32.54 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 64.329999999999998 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -38.2 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 74.120000000000005 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.03 -34.05 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.099999999999994 110.895 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -70.72 -36.43 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.174 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.37 -54.4 41.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 72.409999999999997 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.2 -30.2 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmm -59.88 -37.0 78.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.898 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.618 HG23 HD23 ' A' ' 29' ' ' LEU . 55.2 mt -69.96 -25.32 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.549999999999997 111.13 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -60.77 -43.08 98.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.239999999999995 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -81.55 -30.98 32.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 71.129999999999995 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -95.6 28.78 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 70.140000000000001 111.098 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -176.11 95.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 35.109999999999999 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 tt -67.28 145.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 42.549999999999997 111.073 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -74.42 75.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -152.99 -61.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 74.310000000000002 112.463 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.54 -46.08 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 52.409999999999997 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.01 30.33 7.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 62.240000000000002 112.474 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.73 148.53 47.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 74.209999999999994 110.93 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.753 HG21 HD13 ' A' ' 29' ' ' LEU . 39.8 t -99.72 127.97 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.450000000000003 111.164 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -83.26 135.96 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 110.896 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 66' ' ' VAL . 23.3 t80 -56.47 -24.99 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 71.340000000000003 110.94 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -74.16 -50.24 20.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.848 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.81 -55.73 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 55.210000000000001 110.854 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.85 -55.9 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.329999999999998 110.849 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 62' ' ' TYR . 89.6 t -58.57 -24.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 65.549999999999997 111.152 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.69 -53.65 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.439999999999998 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.433 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -61.48 -38.22 86.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 110.886 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.46 -52.08 66.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -54.88 -33.34 61.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.519999999999996 111.123 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 68' ' ' MET . . . -55.16 -66.64 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.409999999999997 111.103 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.340000000000003 110.861 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 71.319999999999993 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.75 134.54 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 72.439999999999998 110.882 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -162.64 142.09 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.138 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.8 99.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 110.86 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -171.27 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.329999999999998 110.872 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.3 -57.97 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.530000000000001 110.904 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.74 -27.96 66.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 61.350000000000001 110.883 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.76 -15.53 58.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.209999999999994 110.862 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -82.72 -39.69 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 73.299999999999997 111.09 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -42.34 62.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.869 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 15' ' ' VAL . 4.3 mt-10 -81.58 -24.97 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.329999999999998 110.875 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.07 92.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HG11 ' A' ' 32' ' ' VAL . 5.4 m-85 -82.7 -19.2 38.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 110.867 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.73 -36.59 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.857 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 11' ' ' GLU . 85.9 t -71.72 -24.83 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 74.540000000000006 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.71 -66.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 65.010000000000005 110.854 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.97 123.89 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.875 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -93.85 41.71 1.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 74.430000000000007 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.13 26.11 6.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.888 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.31 74.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 53.240000000000002 112.502 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 62.24 102.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 70.230000000000004 110.866 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.9 -154.12 7.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 74.329999999999998 112.469 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -102.67 151.08 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.140000000000001 110.953 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.0 169.35 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 64.530000000000001 111.096 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 172.38 7.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 63.32 110.843 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.77 -48.23 30.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 61.119999999999997 111.072 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.54 -61.33 2.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 111.135 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.35 -31.39 61.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 70.400000000000006 110.9 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.778 HD13 HG21 ' A' ' 60' ' ' VAL . 16.5 tp -68.25 -57.14 6.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 52.399999999999999 110.952 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.674 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -56.45 -32.0 64.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.239999999999995 110.831 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.08 -65.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 50.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE2' ' A' ' 13' ' ' PHE . 39.3 t -53.03 -41.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 111.136 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.4 mtm -65.62 -58.35 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 73.530000000000001 110.868 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.8 m -58.38 -21.81 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 54.350000000000001 111.099 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -83.76 -62.07 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.010000000000005 110.863 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 120.99 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 73.030000000000001 110.901 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 117.19 -136.62 12.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.649 -0.786 . . . . 74.420000000000002 112.481 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.29 -170.12 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.94 0.4 . . . . 75.430000000000007 110.883 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -80.75 101.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.91 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.99 176.37 5.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -100.66 148.98 24.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 73.040000000000006 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.48 -26.87 61.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 64.140000000000001 110.853 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -70.78 -42.79 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 63.149999999999999 110.858 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -35.31 79.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG11 ' HG2' ' A' ' 30' ' ' ARG . 57.6 t -66.52 -33.85 66.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 63.299999999999997 111.13 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.79 -65.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 62.329999999999998 110.887 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.79 -27.89 69.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -42.92 98.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 110.906 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 46.1 mt -68.11 -23.25 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 71.329999999999998 111.174 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -41.8 90.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.18 -37.12 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.310000000000002 110.86 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 36.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.25 111.118 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -179.37 95.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.140000000000001 110.834 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 76.6 mt -142.24 -67.04 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.129999999999995 111.098 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.77 155.93 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.901 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.91 -153.12 20.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 65.140000000000001 112.516 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -116.35 61.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 61.509999999999998 110.849 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.6 36.8 93.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 54.310000000000002 112.473 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -131.49 148.94 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 65.319999999999993 110.9 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.778 HG21 HD13 ' A' ' 29' ' ' LEU . 46.6 t -95.04 132.1 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 72.430000000000007 111.147 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -82.66 133.61 35.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 70.340000000000003 110.885 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.671 ' O ' HG23 ' A' ' 66' ' ' VAL . 32.8 t80 -53.8 -53.61 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -51.63 -48.89 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 71.319999999999993 110.872 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -51.73 -61.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 110.839 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -51.62 -39.24 57.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.907 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.6 t -66.17 -32.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.530000000000001 111.119 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -63.19 -43.53 97.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 55.240000000000002 110.959 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.03 -28.12 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 40.030000000000001 110.843 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.5 p -109.92 25.62 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 111.154 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.0 -58.03 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 111.092 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 74.5 110.873 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.793 0.33 . . . . 72.540000000000006 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -155.79 98.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.899 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -25.17 8.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 50.329999999999998 111.14 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.23 55.37 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 73.040000000000006 110.895 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -88.06 -32.67 18.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.230000000000004 110.859 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.37 45.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 60.43 110.911 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -89.89 -49.98 6.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 64.540000000000006 110.89 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -77.53 -3.82 42.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.862 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 64.8 mt -88.96 -48.69 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 111.131 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -57.59 -35.29 70.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.905 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' HG23 ' A' ' 15' ' ' VAL . 40.2 mt-10 -82.24 -24.41 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 55.530000000000001 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.89 -29.82 64.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 45.420000000000002 111.069 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CE1' HG11 ' A' ' 32' ' ' VAL . 1.4 m-85 -85.38 -20.09 30.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.329999999999998 110.867 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -82.68 -33.97 27.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 63.520000000000003 110.881 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLU . 99.1 t -78.98 -25.9 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 70.209999999999994 111.133 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.868 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -69.87 128.11 35.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -113.08 -40.02 4.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 110.941 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -128.73 74.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 110.849 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -176.55 -167.79 35.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 70.409999999999997 112.508 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -136.59 53.83 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.340000000000003 110.888 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.06 33.84 5.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 45.32 112.5 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -149.24 121.97 8.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.87 0.366 . . . . 61.509999999999998 110.921 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -109.49 175.22 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 65.209999999999994 111.105 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -96.44 167.81 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 60.149999999999999 110.875 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.05 -45.85 32.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 43.329999999999998 111.113 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.73 -51.85 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 65.340000000000003 111.126 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 24' ' ' ILE . 6.7 m-20 -66.05 -32.97 74.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 110.843 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 HG21 ' A' ' 60' ' ' VAL . 43.6 tp -66.16 -58.73 4.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 63.229999999999997 110.897 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -56.76 -29.22 62.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 63.340000000000003 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.01 -61.43 1.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 75.340000000000003 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 28' ' ' ASP . 22.4 t -57.7 -40.51 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 61.329999999999998 111.148 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 82.4 mtp -66.1 -58.42 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 53.409999999999997 110.904 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -60.86 -21.44 63.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 111.161 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -82.53 -63.9 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 65.030000000000001 110.911 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -53.98 173.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 71.530000000000001 110.915 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.16 102.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 65.099999999999994 112.499 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.29 90.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 45.210000000000001 110.857 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -87.11 96.24 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 72.239999999999995 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt -141.39 174.95 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 45' ' ' VAL . 25.6 p -103.8 163.34 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 60.140000000000001 111.1 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -53.55 -32.83 52.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.859 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.55 -45.25 54.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 62.399999999999999 110.903 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.18 -32.25 73.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.863 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 41' ' ' THR . 58.2 t -71.06 -35.06 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 62.109999999999999 111.163 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.87 -48.19 67.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.887 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.78 -33.06 71.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.210000000000001 110.862 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 31.5 mmm -59.03 -43.2 91.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 63.219999999999999 110.882 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' LEU . 56.0 mt -69.54 -26.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 111.142 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -35.15 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.837 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.86 -58.0 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 53.229999999999997 110.883 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.41 -29.31 23.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 62.020000000000003 111.105 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -125.39 44.52 2.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 71.409999999999997 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.42 137.84 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 111.13 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 61.79 83.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 74.150000000000006 110.87 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 -54.12 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.761 . . . . 73.219999999999999 112.512 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 t0 52.02 50.83 17.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.827 0.346 . . . . 75.109999999999999 110.84 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -128.2 -70.57 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.767 -0.73 . . . . 75.329999999999998 112.518 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -136.18 159.19 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 62.329999999999998 110.904 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.706 HG21 HD22 ' A' ' 29' ' ' LEU . 20.4 t -98.39 137.31 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.096 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -82.27 136.96 34.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 65.310000000000002 110.919 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' O ' HG23 ' A' ' 66' ' ' VAL . 13.5 t80 -58.84 -25.23 63.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.921 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -75.3 -52.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.88 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.57 -53.98 32.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 71.530000000000001 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.5 -54.92 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 62' ' ' TYR . 90.9 t -59.9 -26.45 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 54.32 111.102 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -71.18 -53.22 15.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 65.319999999999993 110.921 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.45 -37.4 80.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 110.887 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.1 mmt -53.43 -29.16 33.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 61.009999999999998 110.884 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 m -77.63 -47.33 19.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 54.210000000000001 111.136 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.69 -56.51 20.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 111.139 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.239999999999995 110.945 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.748 0.309 . . . . 74.540000000000006 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -109.99 52.93 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.251 -0.431 . . . . 74.120000000000005 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.1 p -107.27 89.77 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 62.399999999999999 111.15 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.3 126.64 31.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 61.25 110.883 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.16 -51.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 110.834 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -169.37 42.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 75.299999999999997 110.882 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -93.04 -57.93 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.931 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.88 -1.69 40.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.887 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.6 mt -89.76 -48.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 63.219999999999999 111.13 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -35.34 74.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.887 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 tt0 -79.98 -24.48 40.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.892 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.18 -29.17 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 111.12 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.7 m-85 -85.0 -20.07 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 43.219999999999999 110.915 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -36.35 30.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 73.540000000000006 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' GLU . 98.7 t -57.57 -23.09 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 63.240000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -85.1 -45.14 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.129999999999995 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -79.63 138.24 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 71.219999999999999 110.884 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -85.14 96.42 9.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 75.230000000000004 110.938 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 57.15 77.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 110.836 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.07 -165.65 15.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 52.409999999999997 112.493 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.52 -34.0 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 74.109999999999999 110.885 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.57 49.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 64.540000000000006 112.509 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.73 122.01 43.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.901 0.381 . . . . 72.030000000000001 110.938 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -132.59 178.04 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 65.549999999999997 111.188 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -98.08 169.55 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 110.828 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.93 -44.63 40.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 71.310000000000002 111.125 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.95 -55.12 15.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 63.329999999999998 111.09 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.636 ' HB3' HD13 ' A' ' 24' ' ' ILE . 2.4 m-20 -64.73 -34.48 78.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.019999999999996 110.836 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.764 HD22 HG21 ' A' ' 60' ' ' VAL . 21.4 tp -63.05 -61.25 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 61.140000000000001 110.911 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HG3' HD11 ' A' ' 49' ' ' ILE . 15.4 mtp180 -55.64 -30.65 61.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 61.520000000000003 110.894 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -60.61 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.129999999999995 110.858 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 21.8 t -58.28 -40.97 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.146 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -58.47 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 71.349999999999994 110.88 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.3 m -60.27 -20.88 60.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 70.129999999999995 111.127 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -83.67 -59.29 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 71.120000000000005 110.904 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD13 HG12 ' A' ' 32' ' ' VAL . 2.8 mp -52.05 -30.66 26.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 75.430000000000007 110.886 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.0 -148.22 17.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.746 . . . . 71.120000000000005 112.47 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 56.84 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 72.510000000000005 110.913 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -96.89 105.03 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.510000000000005 110.877 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mt -137.95 176.26 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 50.409999999999997 110.944 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 45' ' ' VAL . 37.5 p -88.97 161.18 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 70.010000000000005 111.167 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.5 -29.85 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 51.200000000000003 110.887 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.7 -47.6 25.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 110.882 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.46 89.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 73.319999999999993 110.906 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 41' ' ' THR . 39.5 t -67.3 -32.77 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 74.439999999999998 111.093 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.23 -48.19 65.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.825 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.01 -36.11 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 110.898 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -47.88 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 70.25 110.9 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.696 HD11 ' HG3' ' A' ' 30' ' ' ARG . 77.6 mt -69.18 -26.32 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.127 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -54.66 -31.72 58.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 110.913 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.91 -57.13 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -28.27 35.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.109999999999999 111.107 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -118.76 80.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 72.239999999999995 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.1 pt -55.68 -29.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 63.549999999999997 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -29.88 65.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.875 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.69 -71.6 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 33.020000000000003 112.478 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -171.93 43.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 70.530000000000001 110.843 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -107.12 -87.07 1.91 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 45.030000000000001 112.468 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.63 153.67 37.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 73.310000000000002 110.947 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.764 HG21 HD22 ' A' ' 29' ' ' LEU . 20.2 t -107.44 143.54 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 63.439999999999998 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -83.41 140.0 32.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 54.539999999999999 110.876 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 66' ' ' VAL . 21.0 t80 -55.7 -25.96 42.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 110.885 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -74.45 -51.12 15.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.140000000000001 110.829 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.78 -54.08 32.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.010000000000005 110.881 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -52.0 -57.04 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.86 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.3 t -54.81 -32.25 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.340000000000003 111.141 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.48 -55.93 26.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.897 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.14 -33.59 63.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.350000000000001 110.861 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -36.13 81.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.340000000000003 110.835 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -71.08 -49.25 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 63.210000000000001 111.145 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 60.09 -178.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 55.350000000000001 111.124 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 75.230000000000004 110.862 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.764 0.316 . . . . 74.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.07 49.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 61.350000000000001 110.843 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 p -77.36 -69.28 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.140000000000001 111.134 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 52.91 39.58 29.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 64.409999999999997 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -39.05 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 62.310000000000002 110.846 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -142.44 25.65 1.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 62.520000000000003 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.99 -52.98 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 71.400000000000006 110.871 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -76.5 -4.58 43.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 63.340000000000003 110.891 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.7 mt -90.33 -50.06 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 74.200000000000003 111.162 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -52.34 -40.19 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 74.120000000000005 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm-40 -81.23 -23.72 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.239999999999995 110.862 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 8' ' ' GLU . . . -70.36 -34.07 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 71.200000000000003 111.121 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -82.31 -20.08 38.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.895 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -36.55 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.340000000000003 110.888 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 11' ' ' GLU . 88.7 t -71.31 -24.87 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 73.129999999999995 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -77.15 -25.17 51.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -62.94 124.53 21.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 73.400000000000006 110.866 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -68.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 110.911 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.67 35.99 3.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 75.140000000000001 110.895 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.48 -129.61 5.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 62.32 112.462 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -171.2 60.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 74.25 110.892 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.63 -23.5 30.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 73.150000000000006 112.47 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -93.75 122.04 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 65.450000000000003 110.937 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -108.78 177.04 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.439999999999998 111.157 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.07 168.78 10.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.519999999999996 110.83 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.94 -47.99 43.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 62.340000000000003 111.124 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.67 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 51.32 111.105 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -71.13 -29.61 65.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.714 HD22 ' CG2' ' A' ' 60' ' ' VAL . 21.2 tp -69.2 -59.18 3.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -32.21 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -64.5 -64.24 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 72.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 13' ' ' PHE . 42.3 t -50.32 -34.76 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 63.350000000000001 111.16 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -58.26 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.97 -22.27 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.430000000000007 111.141 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.23 -64.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.329999999999998 110.9 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD13 HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -52.85 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 73.450000000000003 110.883 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.39 170.22 45.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 50.210000000000001 112.497 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.52 -179.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 72.329999999999998 110.873 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -78.98 88.82 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -90.28 176.68 6.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 150.23 23.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 74.340000000000003 111.185 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -55.92 -26.93 49.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 55.130000000000003 110.861 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -44.64 63.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.896 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -40.08 94.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.230000000000004 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.8 t -63.12 -31.64 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.010000000000005 111.189 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.21 -52.55 60.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -68.33 -33.52 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.130000000000003 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.19 -46.63 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 29' ' ' LEU . 73.1 mt -69.19 -24.11 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.141 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -59.43 -42.94 93.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 110.858 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -77.24 -58.02 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.450000000000003 110.903 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -58.03 7.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 73.010000000000005 111.121 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -107.42 113.88 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 110.867 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -52.57 130.73 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 65.430000000000007 111.161 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.48 146.73 23.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.856 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.92 40.7 1.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 63.43 112.516 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 52.86 89.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.140000000000001 110.881 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.68 -158.79 7.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 73.109999999999999 112.467 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -135.97 168.79 18.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 71.099999999999994 110.896 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.714 ' CG2' HD22 ' A' ' 29' ' ' LEU . 21.9 t -102.7 127.5 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 60.240000000000002 111.158 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -80.18 131.96 35.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 75.519999999999996 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -53.07 -28.71 26.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.926 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.84 -43.47 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 71.340000000000003 110.889 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -55.34 -58.71 6.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 110.841 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -51.48 -54.73 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 61.149999999999999 110.855 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.4 t -58.69 -28.49 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.549999999999997 111.122 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.67 -54.28 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 63.350000000000001 110.87 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -30.73 68.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 110.883 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -29.12 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 73.010000000000005 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -116.87 26.36 9.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 65.400000000000006 111.138 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.7 -52.42 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 60.219999999999999 111.134 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.109999999999999 110.891 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.764 0.316 . . . . 73.040000000000006 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -88.46 54.78 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.530000000000001 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.76 27.37 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 64.519999999999996 111.15 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -124.47 80.93 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 71.439999999999998 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.9 -57.78 2.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 71.219999999999999 110.851 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.17 -29.74 13.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 54.520000000000003 110.924 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.4 -29.12 65.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.03 -5.24 45.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.5 110.944 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.717 HD11 HD21 ' A' ' 36' ' ' LEU . 41.4 mm -86.89 -42.52 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 71.540000000000006 111.114 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -63.03 -33.9 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.895 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.728 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.1 tt0 -82.71 -27.49 31.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 75.329999999999998 110.917 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.49 74.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.450000000000003 111.073 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.617 ' CE1' HG11 ' A' ' 32' ' ' VAL . 3.1 m-85 -83.81 -18.98 35.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 110.933 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -37.22 26.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 75.319999999999993 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 11' ' ' GLU . 90.8 t -59.73 -23.85 27.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 111.136 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -90.64 -44.61 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 74.140000000000001 110.869 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -65.59 125.68 25.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.823 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 150.2 21.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 62.25 110.877 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -169.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 110.862 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.19 105.83 3.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 64.409999999999997 112.449 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -160.92 -69.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 75.530000000000001 110.862 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.56 46.31 2.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 42.539999999999999 112.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -145.44 122.04 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 74.400000000000006 110.902 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.682 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -106.99 173.19 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.409999999999997 111.163 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -99.42 172.11 7.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.884 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.91 37.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 111.086 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.97 -61.28 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 70.450000000000003 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.9 OUTLIER -53.32 -30.39 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 54.039999999999999 110.828 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 49' ' ' ILE . 13.3 tp -71.62 -52.76 16.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 75.230000000000004 110.907 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -57.43 -34.77 69.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.872 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.75 -62.4 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 71.310000000000002 110.88 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG11 ' CE1' ' A' ' 13' ' ' PHE . 57.9 t -54.47 -42.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.13 -58.5 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 63.509999999999998 110.842 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.2 m -58.57 -21.76 53.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 75.109999999999999 111.136 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -83.38 -54.57 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.831 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.717 HD21 HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -71.43 83.93 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 110.911 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.63 -157.64 3.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.73 . . . . 62.439999999999998 112.462 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 54.27 81.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 74.420000000000002 110.888 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -94.37 77.64 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 75.430000000000007 110.904 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.6 mm? -104.47 176.71 5.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 50.310000000000002 110.924 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 45' ' ' VAL . 21.5 p -88.03 166.82 14.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 70.519999999999996 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.35 -27.26 46.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.349999999999994 110.852 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -77.88 -48.52 16.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 51.32 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HG2' HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -64.05 -41.87 97.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 63.240000000000002 110.872 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 41' ' ' THR . 77.0 t -64.74 -32.5 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 111.127 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -54.9 35.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.903 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -65.6 -30.44 71.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 42.049999999999997 110.886 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -41.17 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 71.430000000000007 110.84 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.77 HG23 HD23 ' A' ' 29' ' ' LEU . 75.5 mt -69.32 -24.67 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 111.101 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -43.23 92.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.915 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.15 -54.99 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 55.520000000000003 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 60' ' ' VAL . . . -84.1 61.28 6.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 111.145 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -178.57 120.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 110.838 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.1 mt -69.7 137.96 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.5 111.172 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.19 -175.57 0.11 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 75.010000000000005 110.871 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.92 112.58 3.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 70.0 112.47 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.4 t70 61.53 88.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.882 0.373 . . . . 72.120000000000005 110.871 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -141.2 -125.89 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 73.519999999999996 112.526 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -127.94 152.16 48.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.761 HG21 HD13 ' A' ' 29' ' ' LEU . 98.5 t -97.08 118.18 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.099999999999994 111.122 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -78.5 139.82 38.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 110.887 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.664 ' O ' HG13 ' A' ' 66' ' ' VAL . 45.0 t80 -56.48 -30.88 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.409999999999997 110.947 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.28 -20.73 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 71.030000000000001 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -78.81 -34.57 45.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.854 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -78.53 -47.6 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 54.329999999999998 110.899 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 62' ' ' TYR . 29.3 m -51.35 -32.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 73.239999999999995 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -70.0 -40.15 75.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 61.100000000000001 110.895 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -41.03 88.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -37.89 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.340000000000003 110.877 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -38.37 36.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 75.230000000000004 111.122 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.23 165.57 13.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 64.200000000000003 111.124 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 74.549999999999997 110.93 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.338 . . . . 65.340000000000003 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.95 48.59 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 60.399999999999999 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.9 p -124.33 27.41 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.049999999999997 111.111 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.06 139.02 58.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.433 . . . . 75.530000000000001 110.834 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 m -148.36 -62.67 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 75.439999999999998 110.86 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.07 27.56 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 72.319999999999993 110.934 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.21 -27.99 15.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 70.409999999999997 110.897 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.7 -14.66 59.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 73.519999999999996 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 69' ' ' MET . 75.8 mt -82.92 -40.14 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 55.219999999999999 111.156 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -51.68 -44.65 63.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.842 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.3 mt-10 -78.73 -24.48 44.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.922 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.16 90.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 74.400000000000006 111.122 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.784 ' CE2' HG11 ' A' ' 32' ' ' VAL . 13.0 m-85 -82.69 -19.99 37.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.019999999999996 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -81.67 -38.2 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 75.040000000000006 110.822 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 11' ' ' GLU . 87.4 t -70.95 -25.19 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 61.310000000000002 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.72 -52.28 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.310000000000002 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.74 132.88 48.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 50.340000000000003 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -64.73 -29.41 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -71.08 -57.91 4.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.87 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.1 84.85 0.41 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.482 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 t30 61.7 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 73.430000000000007 110.849 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -156.16 -95.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 72.310000000000002 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -138.83 129.88 26.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 70.519999999999996 110.897 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.95 169.76 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 71.25 111.156 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.7 m -100.79 172.29 7.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.83 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.56 -47.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 52.340000000000003 111.171 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.58 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.439999999999998 111.099 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.2 m-20 -55.44 -29.25 58.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 65.540000000000006 110.894 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 HD22 HG21 ' A' ' 60' ' ' VAL . 14.4 tp -70.05 -56.21 7.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 62.109999999999999 110.91 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.61 -32.73 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.88 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -69.76 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.857 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 13' ' ' PHE . 48.9 t -52.2 -41.16 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 65.430000000000007 111.159 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.9 mtm -65.26 -58.22 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 70.319999999999993 110.857 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.7 m -58.02 -22.21 48.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 53.119999999999997 111.114 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -83.93 -57.1 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -51.46 153.49 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 63.299999999999997 110.946 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 117.76 6.61 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 70.299999999999997 112.498 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.17 102.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 73.549999999999997 110.911 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -77.46 85.58 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.871 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 175.51 9.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 75.439999999999998 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 70.4 p -113.43 171.05 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 60.240000000000002 111.152 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -33.52 55.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.109999999999999 110.89 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.0 -38.81 79.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 73.310000000000002 110.87 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -36.48 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' THR . 21.9 t -66.56 -39.89 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 111.115 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.35 -41.01 62.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 54.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -27.97 49.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 73.340000000000003 110.826 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -66.05 -39.96 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.553 HG23 HD23 ' A' ' 29' ' ' LEU . 57.9 mt -71.49 -27.58 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 71.349999999999994 111.097 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -39.02 80.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -52.79 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.120000000000005 110.875 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.45 -57.95 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 52.130000000000003 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.46 176.94 4.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.430000000000007 110.877 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.1 mt -76.31 -69.98 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 111.1 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.68 136.42 3.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.843 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.86 -104.65 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 72.129999999999995 112.486 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -134.47 66.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 74.540000000000006 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.28 -136.53 8.62 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 55.140000000000001 112.458 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -134.67 142.4 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.379 . . . . 74.340000000000003 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.685 HG21 HD22 ' A' ' 29' ' ' LEU . 21.9 t -94.98 145.04 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -90.25 137.04 32.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 110.871 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.613 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.9 t80 -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.549999999999997 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -49.24 76.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 70.150000000000006 110.858 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -51.86 -58.44 6.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 63.409999999999997 110.902 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 29' ' ' LEU . 4.5 t80 -51.67 -52.42 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 74.040000000000006 110.909 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 62' ' ' TYR . 85.4 t -57.31 -29.71 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 53.310000000000002 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -46.47 76.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -41.79 90.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.836 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.519 ' HG2' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -61.63 -26.08 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 71.430000000000007 110.881 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.6 m -79.88 -34.39 39.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 73.049999999999997 111.175 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 63.51 104.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.099999999999994 111.058 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.3 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.219999999999999 110.932 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.807 0.336 . . . . 70.439999999999998 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.13 -28.99 14.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 73.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.32 128.53 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.140000000000001 111.141 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.46 132.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 75.019999999999996 110.884 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.48 -45.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.119999999999997 110.891 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -91.28 -35.5 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 63.310000000000002 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.71 -26.99 55.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 51.229999999999997 110.902 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.12 58.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.907 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.4 mt -82.84 -39.9 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 111.109 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -51.74 -42.5 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 54.299999999999997 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.587 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.8 mm-40 -80.87 -24.88 38.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.129999999999995 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.07 94.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 60.439999999999998 111.117 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE2' HG11 ' A' ' 32' ' ' VAL . 9.9 m-85 -84.12 -19.58 33.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.519999999999996 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -82.8 -36.38 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 64.049999999999997 110.867 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 11' ' ' GLU . 76.9 t -74.01 -25.13 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 63.229999999999997 111.19 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -71.34 -53.58 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 110.854 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -85.66 116.15 23.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 54.049999999999997 110.88 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -64.53 -178.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 110.885 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 59.66 26.03 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.509999999999998 110.887 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.05 -166.49 42.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 74.150000000000006 112.469 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -56.36 166.33 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 65.030000000000001 110.847 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.14 -167.39 36.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 63.509999999999998 112.451 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -98.83 144.22 28.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 70.420000000000002 110.941 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.0 OUTLIER -107.02 171.33 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 72.5 111.116 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.75 170.03 9.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 64.219999999999999 110.891 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.19 20.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 65.25 111.148 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.32 -61.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 71.239999999999995 111.096 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.4 m-20 -55.08 -30.93 60.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 63.140000000000001 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.801 HD22 HG21 ' A' ' 60' ' ' VAL . 15.4 tp -68.82 -57.56 5.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 61.119999999999997 110.896 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -31.44 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.872 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -70.23 -63.35 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE2' ' A' ' 13' ' ' PHE . 45.2 t -54.3 -41.66 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.510000000000005 111.156 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.2 mtt -65.61 -58.31 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.483 . . . . 72.120000000000005 110.895 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 91.5 m -59.29 -20.99 58.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 111.146 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -125.96 89.86 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 32' ' ' VAL . 3.4 mt -171.06 -49.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.450000000000003 110.899 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.69 55.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.299999999999997 112.512 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.46 100.34 2.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 72.340000000000003 110.897 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.3 mtmt -79.23 81.4 5.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 75.030000000000001 110.895 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 39' ' ' LYS . 13.3 mt -131.42 173.53 11.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.879 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -94.01 164.91 12.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 111.159 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.26 -31.85 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.299999999999997 110.863 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.64 -38.4 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.439999999999998 110.958 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.62 -41.59 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 74.329999999999998 110.917 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.82 -34.93 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.129 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -53.33 -54.0 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 72.140000000000001 110.881 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -66.39 -27.47 67.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 61.409999999999997 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -40.04 95.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 44.130000000000003 110.912 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG23 HD23 ' A' ' 29' ' ' LEU . 68.3 mt -69.57 -25.3 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 111.144 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -40.07 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.219999999999999 110.838 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -82.52 -35.02 27.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 74.420000000000002 110.887 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.87 40.23 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.109999999999999 111.097 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -174.15 36.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.0 mt -82.56 -62.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.099999999999994 111.15 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -71.27 126.29 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.340000000000003 110.882 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.53 -42.01 2.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 71.430000000000007 112.497 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.07 88.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 52.020000000000003 110.87 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.86 -47.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 43.420000000000002 112.477 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 147.98 50.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 64.140000000000001 110.902 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.801 HG21 HD22 ' A' ' 29' ' ' LEU . 61.7 t -95.02 133.67 35.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 111.138 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.74 133.99 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.230000000000004 110.873 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 55.1 t80 -60.51 -27.7 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 63.530000000000001 110.94 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -69.26 -53.29 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 74.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -56.04 16.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.66 -60.01 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.430000000000007 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.54 HG21 ' CZ ' ' A' ' 62' ' ' TYR . 87.3 t -55.69 -25.25 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.099999999999994 111.114 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -67.39 -51.97 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 61.119999999999997 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.14 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 70.150000000000006 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.2 tpt -64.26 -26.25 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.877 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.2 m -78.56 -28.12 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 75.400000000000006 111.142 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.63 -69.94 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 111.083 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 62.200000000000003 110.888 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 64.230000000000004 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 59.67 61.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.901 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.6 43.44 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 75.239999999999995 111.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -114.02 59.23 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -153.12 42.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 75.049999999999997 110.845 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -72.82 -27.63 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.150000000000006 110.856 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -56.64 -35.04 67.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.844 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.19 -12.81 61.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.219999999999999 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HD12 HD11 ' A' ' 36' ' ' LEU . 32.8 mm -82.75 -39.92 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 51.43 111.169 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -55.93 -39.35 71.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.864 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 15' ' ' VAL . 5.1 tt0 -82.75 -27.34 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.84 86.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 32.100000000000001 111.071 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.776 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.8 m-85 -85.17 -19.41 31.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 75.540000000000006 110.891 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -83.88 -35.18 24.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 71.239999999999995 110.865 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 11' ' ' GLU . 92.6 t -76.77 -25.31 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 63.420000000000002 111.106 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -58.41 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.019999999999996 110.896 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.46 143.27 58.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 53.299999999999997 110.893 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -78.19 62.2 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.66 -177.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.2 -54.95 28.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 62.310000000000002 112.474 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -174.25 118.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 71.109999999999999 110.895 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -151.36 -133.89 2.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 24.109999999999999 112.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -119.82 148.72 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 74.310000000000002 110.888 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.576 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.3 pt -107.0 174.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 74.450000000000003 111.13 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -97.28 170.34 9.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 61.149999999999999 110.849 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.93 -44.93 30.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.113 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.47 -61.56 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 65.209999999999994 111.099 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.5 m-20 -57.74 -32.17 67.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.708 ' HG ' HG21 ' A' ' 60' ' ' VAL . 0.7 OUTLIER -64.74 -60.87 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 110.919 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -31.24 68.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.879 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.94 -66.49 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.846 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CE1' ' A' ' 13' ' ' PHE . 36.9 t -52.7 -36.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.140000000000001 111.145 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.69 -58.18 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.5 -22.03 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.219999999999999 111.171 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -85.52 -65.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 32' ' ' VAL . 5.8 mt -51.84 -31.7 28.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 65.219999999999999 110.942 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.39 118.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 74.420000000000002 112.487 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.29 87.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.944 0.402 . . . . 63.329999999999998 110.879 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -93.73 77.7 4.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.010000000000005 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.0 176.07 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 75.349999999999994 110.871 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.3 p -87.97 157.77 18.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 72.310000000000002 111.15 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -52.9 -29.1 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 73.439999999999998 110.878 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -75.4 -47.62 26.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.86 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -40.5 97.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 51.25 110.856 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 41' ' ' THR . 58.0 t -65.39 -34.12 68.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 75.310000000000002 111.158 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -43.69 63.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 63.030000000000001 110.886 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -74.59 -27.5 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 110.905 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -45.73 93.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.847 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.61 HG12 HD12 ' A' ' 29' ' ' LEU . 53.9 mt -70.0 -25.02 27.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -41.79 96.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.34 -53.54 28.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.884 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.88 -37.19 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 111.115 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.36 113.41 21.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 73.439999999999998 110.88 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.6 mt -124.68 -63.96 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 64.420000000000002 111.098 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -94.57 129.96 41.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.883 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.02 165.17 19.58 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.733 -0.746 . . . . 74.25 112.455 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -78.74 88.67 4.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 62.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 53.0 44.21 61.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.78 -0.724 . . . . 74.329999999999998 112.482 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -125.87 143.58 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 55.32 110.863 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.708 HG21 ' HG ' ' A' ' 29' ' ' LEU . 39.5 t -95.03 134.0 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 54.399999999999999 111.154 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.2 p30 -90.83 140.87 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.230000000000004 110.867 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 51.0 t80 -58.51 -22.65 55.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.349999999999994 110.945 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 71.120000000000005 110.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -59.41 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 52.25 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -51.75 -34.93 41.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.878 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' TYR . 98.1 t -75.87 -31.22 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 75.030000000000001 111.14 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.4 -55.09 37.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.540000000000006 110.907 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 mmm -61.43 -36.27 79.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.439999999999998 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -46.05 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 110.886 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.4 m -77.59 -30.62 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 59.39 174.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 111.066 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 75.010000000000005 110.917 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 71.420000000000002 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.1 131.22 31.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 73.129999999999995 110.859 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -118.27 -38.43 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 51.43 111.125 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.04 154.02 45.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 110.873 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -91.64 134.34 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 43.350000000000001 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.01 -53.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.329999999999998 110.853 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -80.77 -36.73 31.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 63.109999999999999 110.865 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -15.36 60.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 110.861 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 HD12 ' HG2' ' A' ' 69' ' ' MET . 76.2 mt -83.36 -39.5 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 62.229999999999997 111.127 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -52.7 -40.21 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 110.858 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 15' ' ' VAL . 14.5 mt-10 -81.87 -23.61 36.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 44.439999999999998 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.7 88.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 111.107 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 32' ' ' VAL . 11.6 m-85 -82.39 -19.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.430000000000007 110.887 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -82.58 -36.46 26.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 63.240000000000002 110.923 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.3 t -69.42 -24.77 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 75.319999999999993 111.086 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -76.52 -65.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.871 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -62.99 115.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 55.420000000000002 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 155.62 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 52.240000000000002 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.01 166.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.891 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.21 90.91 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 70.340000000000003 112.435 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.51 172.03 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 41.439999999999998 110.898 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.04 51.12 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 51.210000000000001 112.511 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -151.52 122.03 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 75.239999999999995 110.943 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -106.99 169.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 72.239999999999995 111.116 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 m -101.22 172.91 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 53.25 110.838 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.89 -53.41 12.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.91 -61.58 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 65.310000000000002 111.108 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.607 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.0 m-20 -53.61 -30.12 41.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 60.020000000000003 110.869 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD22 HG21 ' A' ' 60' ' ' VAL . 14.1 tp -71.37 -53.73 13.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 110.903 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -57.69 -34.18 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.329999999999998 110.891 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -70.12 -63.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.861 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 13' ' ' PHE . 49.1 t -53.54 -41.5 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.141 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -58.15 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 64.400000000000006 110.883 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.9 m -57.82 -21.5 42.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.329999999999998 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -86.79 -68.99 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.892 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.7 OUTLIER -53.81 102.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 64.109999999999999 110.948 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.39 -157.44 29.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 73.409999999999997 112.498 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -132.67 -71.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 44.229999999999997 110.862 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.11 103.48 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 63.009999999999998 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mp -143.71 164.93 29.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 110.93 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.2 p -113.91 157.56 22.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 111.134 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.29 -31.48 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 65.400000000000006 110.89 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.99 -38.8 79.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 110.912 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -67.34 -31.03 71.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 110.911 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -75.28 -35.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 73.200000000000003 111.108 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.93 -43.15 81.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.862 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -73.05 -25.56 60.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.540000000000006 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -36.37 81.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.887 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG23 HD23 ' A' ' 29' ' ' LEU . 73.0 mt -71.07 -26.8 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.152 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.4 mtp85 -63.23 -43.91 96.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 72.409999999999997 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.58 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 65.420000000000002 110.85 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.79 21.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 111.072 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -114.4 102.52 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 61.310000000000002 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 pt -145.69 45.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.229999999999997 111.169 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.64 -36.2 9.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.829 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.44 28.67 5.95 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 74.420000000000002 112.481 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.53 -42.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.858 0.361 . . . . 62.140000000000001 110.873 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 120.62 31.21 1.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 13.23 112.474 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.44 140.21 50.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 44.399999999999999 110.952 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.742 HG21 HD22 ' A' ' 29' ' ' LEU . 39.8 t -104.26 128.19 57.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 72.319999999999993 111.122 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -76.92 132.47 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 64.109999999999999 110.849 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.66 ' O ' HG13 ' A' ' 66' ' ' VAL . 56.0 t80 -55.37 -41.45 72.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 110.905 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.85 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 110.917 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -83.58 -49.84 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.420000000000002 110.887 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -64.38 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.902 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 62' ' ' TYR . 17.4 m -63.04 -30.94 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 65.140000000000001 111.145 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -44.01 97.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 110.888 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.5 tpt -54.15 -37.02 63.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.010000000000005 110.851 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.423 ' HG2' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -78.46 -28.18 46.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.430000000000007 110.878 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 m -62.19 -28.93 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 111.112 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.61 131.46 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 33.43 111.139 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 52.219999999999999 110.906 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.794 0.33 . . . . 73.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -147.11 70.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.549999999999997 110.868 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.7 p -76.06 139.79 41.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 111.128 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.9 99.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 53.020000000000003 110.859 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 100.24 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 40.340000000000003 110.862 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -101.79 -30.65 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 75.209999999999994 110.902 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -67.99 -32.14 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.340000000000003 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.13 -3.54 39.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 54.350000000000001 110.879 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 6' ' ' GLU . 78.1 mt -88.0 -46.92 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.134 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -33.42 72.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.310000000000002 110.879 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.3 tt0 -81.95 -26.88 33.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 73.120000000000005 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.02 -36.64 80.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 51.520000000000003 111.098 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.722 ' CD1' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -84.12 -18.93 35.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 54.100000000000001 110.904 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -84.52 -34.4 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 75.540000000000006 110.888 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.5 t -77.63 -25.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 111.101 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.73 -66.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 73.5 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -63.96 146.96 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -64.38 157.81 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 61.149999999999999 110.925 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.96 134.39 52.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.340000000000003 110.852 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.13 -57.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 54.329999999999998 112.503 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -142.14 174.16 10.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 63.329999999999998 110.863 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.34 52.72 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 55.329999999999998 112.509 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -134.9 126.66 29.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.874 0.368 . . . . 74.299999999999997 110.928 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.722 HG21 ' CD1' ' A' ' 13' ' ' PHE . 1.1 pp -107.01 168.74 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 50.039999999999999 111.098 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.2 m -99.55 170.12 8.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.439999999999998 110.892 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.58 -50.79 12.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 64.510000000000005 111.085 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.04 -61.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.129999999999995 111.075 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 5.3 m-20 -53.02 -30.38 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.851 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.689 ' CD2' HG23 ' A' ' 49' ' ' ILE . 13.5 tp -71.41 -54.16 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 64.25 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' HG3' HD11 ' A' ' 49' ' ' ILE . 3.0 ttp180 -57.52 -33.45 68.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 73.040000000000006 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.36 -61.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.849 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.2 t -55.75 -41.92 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.126 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.2 mtm -65.74 -58.48 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 71.409999999999997 110.86 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.9 m -59.26 -21.87 60.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 52.450000000000003 111.146 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -83.48 -62.2 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.861 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.37 178.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 31.120000000000001 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -52.18 103.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 72.120000000000005 112.48 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -174.23 79.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 75.329999999999998 110.875 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -83.24 78.97 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.92 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 16.4 mt -136.2 164.51 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.919 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.0 p -80.99 161.05 24.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 51.109999999999999 111.145 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -52.73 -33.67 49.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 60.149999999999999 110.872 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -69.7 -37.93 76.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 62.200000000000003 110.892 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -34.53 72.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 64.239999999999995 110.862 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 41' ' ' THR . 48.8 t -68.35 -35.34 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 73.099999999999994 111.147 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -54.37 -48.9 70.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 55.119999999999997 110.862 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.37 -26.56 64.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.887 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 mmm -63.81 -40.45 96.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 60.399999999999999 110.861 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.689 HG23 ' CD2' ' A' ' 29' ' ' LEU . 45.9 mt -69.02 -24.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 111.161 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -60.5 -41.4 94.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 74.530000000000001 110.843 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 54' ' ' ILE . 43.1 mt-10 -76.62 -58.03 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 71.329999999999998 110.833 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.81 -34.65 41.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -99.78 99.19 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 73.109999999999999 110.876 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 51' ' ' GLU . 44.6 pt -118.27 -178.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 71.519999999999996 111.14 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.1 t0 54.19 32.95 16.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 51.329999999999998 110.867 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.8 102.92 2.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 51.240000000000002 112.517 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -56.74 101.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 72.450000000000003 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.77 -63.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 60.420000000000002 112.501 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.06 143.7 51.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 53.210000000000001 110.934 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.656 HG21 HD22 ' A' ' 29' ' ' LEU . 26.1 t -95.87 139.59 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.129999999999995 111.119 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -83.37 133.57 34.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.019999999999996 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 19.2 t80 -52.4 -29.67 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.93 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.59 -46.82 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 110.861 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -56.47 13.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 110.843 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -51.91 -56.88 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.889 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' TYR . 78.6 t -57.07 -26.22 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 64.140000000000001 111.118 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -66.75 -54.43 22.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.540000000000006 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -37.91 84.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 62.420000000000002 110.867 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -36.71 54.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.129999999999995 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 m -75.29 -71.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 111.141 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -167.85 -53.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 44.530000000000001 111.146 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 64.129999999999995 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mtt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 64.5 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 52.1 50.42 18.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.822 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.92 -39.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 73.209999999999994 111.143 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.09 99.95 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 74.129999999999995 110.89 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -103.97 131.47 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.310000000000002 110.839 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -110.83 -35.92 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 55.450000000000003 110.906 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -58.59 -28.37 65.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.409999999999997 110.896 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.85 -3.35 41.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -87.75 -43.98 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.049999999999997 111.124 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -62.43 -37.17 84.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 110.873 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 15' ' ' VAL . 10.8 tt0 -78.97 -25.38 43.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.340000000000003 110.903 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.44 -31.08 68.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 111.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' A' ' 32' ' ' VAL . 2.7 m-85 -87.74 -19.72 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -35.66 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.319999999999993 110.853 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.4 t -79.31 -25.89 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 63.350000000000001 111.131 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -71.98 -29.22 64.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.857 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -92.35 129.59 38.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.875 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -117.99 48.56 1.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 72.530000000000001 110.878 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -129.76 -60.75 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 34.5 110.89 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.43 -19.01 5.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 75.420000000000002 112.491 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.57 -25.67 63.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 74.010000000000005 110.87 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.47 50.87 6.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 60.310000000000002 112.492 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -150.96 123.61 8.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 75.129999999999995 110.901 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pp -106.99 169.87 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -96.76 169.78 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.329999999999998 110.841 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.86 -44.01 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 111.116 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.34 -61.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 53.119999999999997 111.117 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HB3' HD13 ' A' ' 24' ' ' ILE . 1.2 m-20 -52.67 -31.33 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.019999999999996 110.865 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.932 HD13 HG11 ' A' ' 60' ' ' VAL . 15.7 tp -71.04 -53.28 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 63.310000000000002 110.916 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -57.86 -34.38 69.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.843 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -70.36 -63.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 110.843 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 28' ' ' ASP . 50.0 t -53.99 -41.69 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 111.151 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -58.3 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.109999999999999 110.931 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.52 -22.07 54.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 72.319999999999993 111.117 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -85.36 -46.85 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 75.319999999999993 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.7 -176.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 72.040000000000006 110.935 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -51.98 -27.93 23.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 73.209999999999994 112.509 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.96 90.35 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 74.540000000000006 110.939 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -110.69 111.02 21.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.926 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 44' ' ' GLU . 9.7 mt -143.71 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 65.099999999999994 110.913 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.1 p -81.08 166.4 20.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 64.299999999999997 111.173 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -54.59 -28.34 45.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 64.420000000000002 110.867 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -78.99 -53.15 7.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 73.010000000000005 110.887 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.8 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.875 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 41' ' ' THR . 99.8 t -56.74 -33.64 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.310000000000002 111.168 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -52.1 -46.49 65.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.875 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -29.94 63.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 72.439999999999998 110.883 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.7 mmm -60.04 -44.23 94.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 71.310000000000002 110.875 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.704 HG23 ' CD2' ' A' ' 29' ' ' LEU . 44.4 mt -68.38 -24.83 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.040000000000006 111.122 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -57.41 -39.38 76.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 110.821 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -49.43 31.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 75.230000000000004 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.53 -66.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 64.549999999999997 111.128 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 143.14 33.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 52.32 110.875 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 pt -83.07 153.0 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 73.120000000000005 111.146 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 177.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 74.219999999999999 110.839 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.43 95.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 53.5 112.479 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 t70 63.28 162.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 74.340000000000003 110.838 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.33 -131.65 2.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 72.010000000000005 112.472 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -111.44 163.2 14.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 74.310000000000002 110.918 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 29' ' ' LEU . 47.0 t -110.69 110.31 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.540000000000006 111.125 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -76.08 137.94 40.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 73.439999999999998 110.91 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.655 ' O ' HG23 ' A' ' 66' ' ' VAL . 18.9 t80 -52.31 -29.54 23.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.903 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.96 -45.85 55.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 75.049999999999997 110.915 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -51.57 -37.92 51.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.869 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -75.31 -46.56 32.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 71.420000000000002 110.849 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.8 t -62.5 -24.62 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.135 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -59.02 3.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 110.883 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -36.08 63.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 62.130000000000003 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -52.29 63.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.150000000000006 110.883 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 m -55.02 -61.65 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 74.510000000000005 111.149 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.31 114.19 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 55.439999999999998 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 71.409999999999997 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 ttp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 54.350000000000001 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -63.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.856 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.85 116.33 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.205 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -85.34 -44.96 12.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 71.209999999999994 110.881 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.89 -67.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 62.130000000000003 110.855 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -153.19 21.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 71.230000000000004 110.863 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.57 -42.13 98.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.209999999999994 110.925 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.01 1.3 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.420000000000002 110.876 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.689 ' CD1' HD21 ' A' ' 36' ' ' LEU . 43.8 mm -91.22 -44.97 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 65.519999999999996 111.116 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -68.39 -30.56 69.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 75.299999999999997 110.861 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.5 mt-10 -81.43 -26.22 35.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 110.872 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.78 67.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.123 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HE1' HG11 ' A' ' 32' ' ' VAL . 1.9 m-85 -85.11 -18.68 33.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 75.239999999999995 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -82.53 -36.78 26.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.239999999999995 110.9 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 11' ' ' GLU . 94.0 t -57.55 -23.07 19.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 72.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -84.66 -45.47 12.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 74.129999999999995 110.873 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.1 129.59 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 70.530000000000001 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -52.13 -34.01 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 52.210000000000001 110.879 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -119.2 157.15 28.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 63.240000000000002 110.863 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.91 127.68 45.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 53.520000000000003 112.494 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 54.58 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 74.319999999999993 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.98 -123.57 2.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.783 -0.722 . . . . 53.240000000000002 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -151.99 130.48 12.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.83 0.348 . . . . 75.329999999999998 110.923 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.2 pp -107.02 168.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 61.439999999999998 111.113 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.18 169.8 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 63.200000000000003 110.886 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.2 -43.65 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 61.229999999999997 111.057 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.87 -61.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 70.409999999999997 111.089 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -52.77 -31.16 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 61.5 110.842 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.865 HD13 HG11 ' A' ' 60' ' ' VAL . 14.8 tp -71.03 -53.87 13.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 61.399999999999999 110.911 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -34.26 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.868 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.14 -62.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 62.240000000000002 110.877 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 28' ' ' ASP . 48.8 t -54.1 -42.4 55.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 111.153 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.0 mtp -65.43 -58.36 6.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.030000000000001 110.874 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.1 m -58.43 -22.34 54.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.420000000000002 111.118 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -83.3 -58.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 75.310000000000002 110.898 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -51.75 -30.24 21.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.935 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.99 -138.32 6.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.788 -0.72 . . . . 63.140000000000001 112.557 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 54.74 73.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 72.409999999999997 110.911 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 87.56 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.89 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -121.9 166.94 13.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.219999999999999 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.2 p -85.81 166.22 16.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 111.159 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.29 -28.86 30.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 64.230000000000004 110.901 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -77.84 -51.4 10.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.878 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.3 -47.1 84.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.863 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -60.24 -34.43 57.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 72.040000000000006 111.136 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -52.01 -38.32 56.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.887 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -80.1 -39.63 29.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.858 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -47.44 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.894 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.661 HG23 ' CD2' ' A' ' 29' ' ' LEU . 50.6 mt -68.7 -26.9 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -53.47 -31.72 46.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 65.450000000000003 110.835 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -91.24 -41.55 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 60.310000000000002 110.852 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.04 59.34 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.430000000000007 111.15 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -162.2 163.65 28.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 62.039999999999999 110.852 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 tt -81.51 -31.5 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 111.14 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -142.96 -173.97 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.827 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.95 -42.2 99.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.510000000000005 112.499 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.48 26.12 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 61.310000000000002 110.882 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.46 -148.16 4.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.741 . . . . 75.099999999999994 112.477 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -111.38 174.83 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 53.32 110.961 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.865 HG11 HD13 ' A' ' 29' ' ' LEU . 60.6 t -98.08 116.44 40.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 52.340000000000003 111.096 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -79.09 139.07 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.340000000000003 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.71 ' O ' HG23 ' A' ' 66' ' ' VAL . 11.6 t80 -51.35 -37.95 50.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.904 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -65.37 -44.24 88.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 61.130000000000003 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -36.51 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 72.120000000000005 110.871 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -81.52 -26.04 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.889 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 62' ' ' TYR . 92.3 t -78.86 -25.16 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.230000000000004 111.108 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -48.4 13.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.129999999999995 110.956 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -40.01 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.862 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.3 tpt -55.76 -46.6 77.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 75.239999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 p -75.4 -58.99 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 64.540000000000006 111.107 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -177.08 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 62.229999999999997 111.123 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 tttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.010000000000005 110.925 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.79 0.328 . . . . 75.030000000000001 110.824 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -128.78 82.24 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 74.209999999999994 110.868 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 p -136.19 85.53 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 111.159 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.81 167.04 9.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 110.894 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 m -126.97 26.99 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.867 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -88.35 -29.15 20.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 74.129999999999995 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -56.26 -29.6 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 63.240000000000002 110.907 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -14.46 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.893 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.5 mt -81.76 -38.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.420000000000002 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttp85 -55.66 -41.29 73.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 tt0 -79.87 -25.83 40.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 63.539999999999999 110.878 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.61 -37.67 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 55.210000000000001 111.06 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.768 ' CE1' HG11 ' A' ' 32' ' ' VAL . 7.2 m-85 -84.82 -19.48 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.902 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -36.36 24.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 73.019999999999996 110.859 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLU . 86.6 t -73.55 -24.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 52.130000000000003 111.15 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -72.41 -51.64 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -92.63 130.09 38.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 65.150000000000006 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.28 64.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 61.119999999999997 110.904 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.39 -53.05 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 63.420000000000002 110.916 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 129.23 -41.1 1.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 52.43 112.457 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.21 -53.87 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 75.519999999999996 110.882 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.05 64.16 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 72.099999999999994 112.488 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -147.88 122.02 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 63.43 110.933 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.51 HD13 ' HB3' ' A' ' 28' ' ' ASP . 1.1 pt -107.51 173.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 60.25 111.106 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' HD12 ' A' ' 24' ' ' ILE . 25.8 p -99.31 170.79 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.857 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.34 20.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 51.329999999999998 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.28 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 111.086 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.604 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-20 -53.38 -30.03 37.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.200000000000003 110.871 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 60' ' ' VAL . 13.0 tp -71.53 -53.91 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.939 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.37 -33.55 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 110.896 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -70.79 -61.61 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 110.862 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 13' ' ' PHE . 54.5 t -55.44 -42.41 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 111.133 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.3 mmm -65.21 -58.48 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 64.439999999999998 110.863 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.9 m -59.58 -20.46 55.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 111.154 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -127.56 87.66 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.25 110.915 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 32' ' ' VAL . 2.0 mt -163.8 25.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.299999999999997 110.855 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.61 43.98 5.64 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 60.32 112.496 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -152.86 150.16 29.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 72.340000000000003 110.888 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.6 tttp -122.51 108.08 12.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 110.924 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 39' ' ' LYS . 46.2 mt -138.62 165.95 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.409999999999997 110.935 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.5 p -87.64 153.26 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 55.329999999999998 111.181 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -52.84 -33.24 48.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.209999999999994 110.873 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -71.86 -42.22 67.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 75.140000000000001 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -36.78 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.877 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.44 -43.1 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.019999999999996 111.102 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -37.14 52.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.826 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -73.45 -43.71 59.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 110.883 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.417 ' HE3' ' HB3' ' A' ' 48' ' ' MET . 3.6 mmm -53.92 -35.38 61.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.733 HG23 HD23 ' A' ' 29' ' ' LEU . 72.7 mt -70.45 -29.38 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.117 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.1 ttt180 -57.71 -32.94 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.349999999999994 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.05 -39.11 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.53 21.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 71.019999999999996 111.085 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -114.88 82.77 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.875 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -55.06 -27.7 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 111.12 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.01 -26.22 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 65.209999999999994 110.876 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.34 -121.23 5.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 43.520000000000003 112.543 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -91.81 57.91 3.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 75.420000000000002 110.842 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.57 -108.71 1.59 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.674 -0.774 . . . . 34.299999999999997 112.434 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.85 162.18 33.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 54.340000000000003 110.906 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.841 HG21 HD22 ' A' ' 29' ' ' LEU . 58.7 t -96.83 133.7 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 111.131 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.81 137.71 33.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.892 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 66' ' ' VAL . 34.0 t80 -56.73 -24.45 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 71.329999999999998 110.945 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.24 -51.24 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 71.510000000000005 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.52 -56.46 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 65.129999999999995 110.903 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -51.52 -61.21 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.86 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 62' ' ' TYR . 86.8 t -53.55 -27.68 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 62.350000000000001 111.137 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -50.13 40.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 71.430000000000007 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.93 85.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 44.539999999999999 110.848 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.63 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.329999999999998 110.876 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.0 p -71.52 -29.05 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.019999999999996 111.109 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.63 103.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 111.124 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 71.030000000000001 110.879 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.804 0.335 . . . . 70.209999999999994 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.19 177.98 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 71.140000000000001 110.871 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 t -68.72 153.33 43.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 53.43 111.131 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -100.07 61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 110.916 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.36 144.4 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 64.340000000000003 110.836 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.28 37.64 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.86 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -93.0 -29.54 15.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 61.25 110.888 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.34 -16.06 59.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 61.420000000000002 110.885 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -82.46 -38.89 15.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.219999999999999 111.094 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -43.37 63.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.889 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 15' ' ' VAL . 3.3 tt0 -80.97 -24.56 37.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.209999999999994 110.884 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.57 76.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 54.350000000000001 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.759 ' CE2' HG11 ' A' ' 32' ' ' VAL . 2.5 m-85 -86.24 -19.99 29.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.129999999999995 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -35.1 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 64.209999999999994 110.843 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' GLU . 93.8 t -77.75 -25.56 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 111.102 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.64 -33.94 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.230000000000004 110.896 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.99 142.9 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 62.140000000000001 110.87 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -64.35 165.73 9.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 71.230000000000004 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -58.71 142.0 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 75.129999999999995 110.842 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.5 -78.27 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 52.240000000000002 112.529 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -121.4 -173.0 2.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 55.340000000000003 110.889 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.69 52.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 74.109999999999999 112.492 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -127.72 121.96 31.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 74.329999999999998 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 25' ' ' SER . 1.2 pp -107.13 170.77 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.230000000000004 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 24' ' ' ILE . 3.3 p -95.47 169.66 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.861 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.78 -45.72 29.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.329999999999998 111.098 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.35 -61.84 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.450000000000003 111.107 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.674 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.8 m-20 -53.73 -30.15 42.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.872 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' CD1' HG21 ' A' ' 60' ' ' VAL . 6.2 tt -70.74 -56.48 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 71.129999999999995 110.898 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.47 -32.07 25.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 110.88 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -52.6 23.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 110.858 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 13' ' ' PHE . 38.0 t -60.51 -43.92 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.126 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.608 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -65.8 -58.12 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 35.399999999999999 110.888 179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 86.6 m -57.07 -22.79 41.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 25.34 111.151 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -88.27 -33.35 18.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 HG12 ' A' ' 32' ' ' VAL . 44.2 mt -96.76 37.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 73.319999999999993 110.948 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 -136.2 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 71.420000000000002 112.442 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -170.63 -66.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.140000000000001 110.863 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -136.16 87.88 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 55.32 110.919 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -140.37 143.8 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 72.120000000000005 110.93 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -86.48 150.65 24.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.14 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.04 -27.42 63.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.25 110.825 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -36.05 77.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 71.329999999999998 110.907 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.73 -39.27 80.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 72.140000000000001 110.889 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG13 ' CE ' ' A' ' 33' ' ' MET . 57.7 t -68.87 -38.99 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 74.109999999999999 111.121 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -54.43 -40.66 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 72.129999999999995 110.86 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -31.0 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.219999999999999 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -38.57 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.2 mt -76.16 -33.25 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -62.05 -26.1 68.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.907 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -99.26 -30.57 12.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.925 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.38 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.072 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -74.2 166.2 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 72.219999999999999 110.824 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 pt -118.2 174.69 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 111.093 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -173.51 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 63.310000000000002 110.833 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.06 -69.9 2.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 63.140000000000001 112.465 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -121.36 159.07 26.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 74.519999999999996 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.37 49.9 2.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 72.200000000000003 112.502 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -128.96 151.39 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 72.209999999999994 110.904 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' CD1' ' A' ' 29' ' ' LEU . 21.7 t -95.11 148.95 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 32.140000000000001 111.144 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.34 142.99 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 73.239999999999995 110.913 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 66' ' ' VAL . 40.1 t80 -57.52 -49.14 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 63.140000000000001 110.916 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -52.32 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 70.340000000000003 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -51.84 -59.78 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 74.109999999999999 110.844 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -51.79 -33.8 37.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 62' ' ' TYR . 91.4 t -74.36 -33.84 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 111.116 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -63.41 -45.35 91.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 43.450000000000003 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -40.99 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 70.129999999999995 110.926 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.51 -33.77 60.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 64.439999999999998 110.907 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 m -84.32 -30.86 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 61.240000000000002 111.15 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.13 -57.73 9.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 111.106 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 74.209999999999994 110.893 179.986 . . . . . . . . 0 0 . 1 stop_ save_