data_2mmj_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 2mmj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 75.44 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 61.23 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 71.23 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.44 111.095 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 75.21 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 70.14 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.44 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 64.32 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.45 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 73.42 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.776 0.322 . . . . 73.51 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.42 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 72.2 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 74.22 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.918 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.41 111.062 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.755 0.312 . . . . 74.22 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.086 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.24 111.13 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.52 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 72.2 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.52 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.51 110.907 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 70.51 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.876 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.54 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.865 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.42 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.124 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.03 111.036 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.831 0.348 . . . . 73.34 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.154 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.22 111.085 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.53 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 74.42 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.3 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.35 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.23 110.854 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.84 0.352 . . . . 74.33 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.52 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.43 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.01 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.15 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.04 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.23 111.06 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 73.53 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.23 111.061 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 43.15 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.43 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 63.23 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.52 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 74.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 72.54 110.843 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.33 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 72.4 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.917 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.1 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 65.11 111.078 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.24 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.156 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.06 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 54.35 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.24 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 72.52 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 74.24 110.905 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 75.32 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.881 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.43 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.11 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 70.2 111.179 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.51 111.109 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 74.4 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.42 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.01 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.35 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.22 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.45 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 73.13 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.927 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 54.44 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.34 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 70.55 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.53 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 74.45 111.109 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 73.33 111.035 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 75.42 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 75.15 111.098 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.51 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 72.44 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 60.52 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 73.55 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 74.32 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.916 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.24 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 65.04 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.87 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.185 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 74.23 111.072 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 74.43 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.1 111.131 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.44 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 72.32 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.52 110.9 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 73.12 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.15 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.32 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.11 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.894 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.14 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 72.34 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.31 111.094 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.884 0.373 . . . . 74.44 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.31 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.51 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.51 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 74.41 110.857 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 74.12 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 63.23 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.43 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.35 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 73.22 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.42 111.149 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.02 111.136 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 74.13 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 55.44 111.186 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.52 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.54 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 74.53 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 72.32 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.1 110.961 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.379 . . . . 64.03 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.937 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.35 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.43 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.925 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.097 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 63.32 111.034 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 74.25 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.01 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 72.45 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 71.2 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.31 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 73.1 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.24 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 74.15 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.01 110.921 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.24 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.21 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.005 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.33 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.45 111.118 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.54 111.086 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 73.42 110.803 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 73.21 111.144 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.04 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.14 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 74.1 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.128 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.33 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.24 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 74.22 110.913 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.11 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.4 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 72.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.4 111.108 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.45 111.077 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 75.33 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.34 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.13 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.34 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.34 111.103 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.4 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 72.12 110.903 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.332 . . . . 70.1 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.35 110.818 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.03 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.33 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.122 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 61.24 111.067 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 74.11 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.3 111.095 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.43 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 53.05 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.52 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 53.05 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.4 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 72.11 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.02 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.24 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.43 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.24 111.125 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.41 111.084 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 74.31 110.864 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.191 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.03 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.33 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 74.3 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.4 111.057 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.33 110.903 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 74.41 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 74.42 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.939 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.12 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.096 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.52 111.086 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 72.3 110.894 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 74.33 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 72.23 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.22 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.41 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 75.31 110.812 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.865 0.364 . . . . 71.04 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.907 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 63.1 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 71.33 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 75.21 110.883 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.04 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.52 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 75.44 111.129 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.52 111.11 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.831 0.348 . . . . 73.04 110.826 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 70.13 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.23 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.43 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 65.41 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.23 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.15 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.81 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.24 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.43 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 71.43 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 65.52 111.096 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 64.21 111.158 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 73.33 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 71.13 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.24 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.45 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.41 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.31 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 74.43 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.895 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 64.12 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 74.4 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 73.15 110.955 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 73.32 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 73.44 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 71.22 111.085 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.91 0.386 . . . . 74.33 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.091 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.14 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 73.25 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.02 111.105 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.41 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 75.43 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.45 110.915 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 74.34 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 72.11 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 72.32 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.05 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 73.12 111.134 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.35 . . . . 74.32 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.174 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.01 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 74.4 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.13 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.13 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.519 -0.233 . . . . 72.03 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.8 -68.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 75.44 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.841 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 61.23 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 71.23 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.897 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.32 98.05 1.13 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.44 111.095 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 -18.45 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.803 -1.089 . . . . 75.21 110.848 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 73.42 111.109 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 70.14 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.44 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 64.32 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.45 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.14 23.12 5.96 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 73.42 110.87 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.901 0 CA-C-N 116.136 -0.483 . . . . 53.34 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.487 -0.245 . . . . 60.4 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 73.51 110.909 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.42 110.864 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 72.2 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 74.22 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.918 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.136 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.09 97.9 1.42 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.41 111.062 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.37 -22.34 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.776 -1.102 . . . . 74.22 110.817 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 73.22 111.086 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.24 111.13 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.52 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 72.2 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.52 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.21 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.05 34.73 5.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.51 110.907 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.085 -0.507 . . . . 72.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.516 -0.234 . . . . 62.23 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.51 -66.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 70.51 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 75.24 110.876 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 73.03 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.54 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.865 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 70.42 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.43 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.124 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.02 98.18 1.44 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.03 111.036 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -21.87 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.869 -1.059 . . . . 73.34 110.877 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.45 111.154 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.22 111.085 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.53 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 74.42 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.3 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.35 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 23.62 9.93 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.23 110.854 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.867 0 CA-C-N 116.175 -0.466 . . . . 70.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 74.32 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 74.33 110.94 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.52 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.43 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 71.01 110.922 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.15 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 72.04 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.14 98.23 1.43 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.23 111.06 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -21.77 13.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.854 -1.067 . . . . 73.53 110.877 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.23 111.061 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 43.15 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 74.43 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 63.23 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 70.15 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.38 23.98 10.99 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.52 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.864 0 CA-C-N 116.149 -0.478 . . . . 74.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 73.44 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -69.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 74.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 72.54 110.843 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.33 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 72.4 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.917 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.1 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.11 98.17 1.43 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 65.11 111.078 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.49 -21.71 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.81 -1.086 . . . . 75.24 110.848 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.21 111.156 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.06 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 54.35 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.24 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 72.52 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.5 24.15 12.64 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 74.24 110.905 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.917 0 CA-C-N 116.129 -0.487 . . . . 52.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.495 -0.242 . . . . 74.55 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.7 -50.57 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 75.32 110.883 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.881 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.43 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 72.11 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.92 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 70.2 111.179 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.18 97.42 1.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.51 111.109 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -20.64 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.753 -1.112 . . . . 74.4 110.816 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.42 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.01 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.35 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.22 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.45 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.41 37.51 3.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.899 0 CA-C-N 116.085 -0.507 . . . . 61.01 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.494 -0.242 . . . . 71.31 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -61.34 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 73.13 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.927 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 54.44 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.34 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.881 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 70.55 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.53 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 74.45 111.109 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.07 97.42 1.53 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 73.33 111.035 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.67 -20.73 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.837 -1.074 . . . . 75.42 110.871 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 75.15 111.098 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.51 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 72.44 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 60.52 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.52 37.77 3.8 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 73.55 110.892 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.13 -0.486 . . . . 71.15 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.434 -0.267 . . . . 63.42 112.434 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.41 -62.98 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 74.32 110.891 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.916 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.24 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 65.04 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.87 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.185 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 97.19 1.67 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 74.23 111.072 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.28 -20.94 13.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.822 -1.081 . . . . 74.43 110.847 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.1 111.131 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.44 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 72.32 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 40.52 1.41 Allowed 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.52 110.9 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.116 -0.493 . . . . 42.41 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 62.01 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 -64.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 73.12 110.882 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.15 110.909 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.32 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.11 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.894 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.14 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 72.34 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 75.14 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.09 97.23 1.65 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.31 111.094 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.59 -20.62 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.771 -1.104 . . . . 74.44 110.871 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.086 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.21 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.12 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.31 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.51 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.51 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.62 25.99 4.23 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 74.41 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.886 0 CA-C-N 116.165 -0.471 . . . . 64.43 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 65.43 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -62.51 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 74.12 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.919 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 63.23 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.43 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.35 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 73.22 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.42 111.149 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.66 100.24 0.14 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.02 111.136 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.01 -9.2 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.891 -1.05 . . . . 74.13 110.901 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 55.44 111.186 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.52 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.54 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 74.53 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 72.32 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.11 35.45 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.1 110.961 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.89 0 CA-C-N 116.086 -0.507 . . . . 30.44 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 75.03 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.31 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 64.03 110.858 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.937 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.35 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.43 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.925 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.11 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.097 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.24 100.15 0.16 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 63.32 111.034 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -9.49 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.798 -1.092 . . . . 74.25 110.867 178.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.22 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.01 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 72.45 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 71.2 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.31 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.22 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 73.1 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.55 34.99 5.0 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.24 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.922 0 CA-C-N 116.094 -0.503 . . . . 53.45 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.251 . . . . 71.24 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.82 -62.0 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 74.15 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.01 110.921 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.24 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.21 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.03 111.005 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.33 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.45 111.118 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.85 100.46 0.13 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.54 111.086 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.46 -8.85 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.883 -1.053 . . . . 73.42 110.803 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 73.21 111.144 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.04 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.14 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 74.1 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.41 111.128 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.33 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.45 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 37.31 4.13 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.24 110.858 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.16 -0.473 . . . . 30.2 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 74.44 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -63.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 74.22 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.11 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.4 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 72.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 74.4 111.108 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.15 100.04 0.16 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.45 111.077 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.53 -9.56 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.853 -1.067 . . . . 75.33 110.899 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.34 111.075 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.13 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.34 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.34 111.103 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.44 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.4 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -102.51 -75.23 0.61 Allowed 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 72.12 110.903 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.853 0 CA-C-N 116.171 -0.468 . . . . 62.34 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.249 . . . . 72.44 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.33 -25.67 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 70.1 110.871 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.35 110.818 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.03 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.33 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.122 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 97.22 1.64 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 61.24 111.067 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -20.85 13.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.868 -1.06 . . . . 74.11 110.894 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.3 111.095 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.43 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 53.05 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.52 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 53.05 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.86 17.34 15.41 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.4 110.902 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.122 -0.49 . . . . 64.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 112.478 -0.249 . . . . 71.03 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 72.11 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.55 110.862 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.02 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.24 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.874 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.43 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.24 111.125 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.08 100.39 0.21 Allowed 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.41 111.084 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.52 -9.54 10.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.909 -1.041 . . . . 74.31 110.864 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.52 111.191 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.03 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.33 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 74.3 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.4 111.057 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.62 37.03 4.05 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.33 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.905 0 CA-C-N 116.16 -0.473 . . . . 71.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.484 -0.246 . . . . 62.53 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -63.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.342 . . . . 74.41 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 74.24 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 74.42 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 74.24 110.939 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.12 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.15 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.096 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.39 98.01 1.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.52 111.086 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -15.89 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.805 -1.089 . . . . 72.3 110.894 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 74.33 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 72.23 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.22 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.41 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.06 35.34 4.86 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 75.31 110.812 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.842 0 CA-C-N 116.172 -0.467 . . . . 61.44 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 63.23 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.59 -67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 71.04 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.907 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 63.1 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 71.33 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 75.21 110.883 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.04 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.52 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 75.44 111.129 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.47 98.01 1.24 Allowed 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.52 111.11 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.39 -15.79 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.822 -1.081 . . . . 73.04 110.826 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 70.13 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.23 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.43 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 65.41 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.42 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.43 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.04 35.94 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.23 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.876 0 CA-C-N 116.175 -0.466 . . . . 60.4 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 72.41 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.62 -68.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 75.15 110.909 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.81 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.24 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.43 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 71.43 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 65.52 111.096 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.36 97.94 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 64.21 111.158 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -15.84 14.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.87 -1.059 . . . . 73.33 110.895 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 71.13 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 70.24 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.45 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.41 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 73.44 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.2 35.06 4.96 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.31 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.848 0 CA-C-N 116.106 -0.497 . . . . 71.11 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 71.52 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.87 -61.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 74.43 110.904 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.895 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 64.12 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 74.4 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 73.15 110.955 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 73.32 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 73.44 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.19 100.44 0.21 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 71.22 111.085 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.64 -9.44 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.811 -1.086 . . . . 74.33 110.911 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.091 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 73.14 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.23 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 73.25 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.02 111.105 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.41 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 75.43 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.52 34.5 4.88 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.45 110.915 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.131 -0.486 . . . . 71.12 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.505 -0.238 . . . . 54.41 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -61.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 74.34 110.865 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 72.11 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 72.32 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.899 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.05 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.109 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.44 99.85 0.71 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 73.12 111.134 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.22 -12.55 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.806 -1.088 . . . . 74.32 110.845 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.24 111.174 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 71.01 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.42 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 74.4 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.13 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.75 33.87 5.12 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.13 110.884 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.141 -0.482 . . . . 55.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 63.450000000000003 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.603 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.841 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 50.32 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 45.43 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.430000000000007 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 HG21 ' A' ' 13' ' ' VAL . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.439999999999998 111.095 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 75.209999999999994 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.47 HG21 HG12 ' A' ' 9' ' ' VAL . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.109 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.140000000000001 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.439999999999998 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 63.119999999999997 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 61.229999999999997 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.230000000000004 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 70.400000000000006 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 72.140000000000001 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.420000000000002 110.864 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 63.43 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 64.200000000000003 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 54.450000000000003 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.530000000000001 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.409999999999997 111.062 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.755 0.312 . . . . 74.219999999999999 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 9' ' ' VAL . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 54.350000000000001 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.239999999999995 111.13 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.430000000000007 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 63.119999999999997 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 60.219999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.510000000000005 110.907 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 70.510000000000005 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 70.150000000000006 110.876 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 51.020000000000003 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 42.219999999999999 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.124 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.030000000000001 111.036 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.831 0.348 . . . . 73.340000000000003 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG21 HG12 ' A' ' 9' ' ' VAL . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 51.140000000000001 111.154 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 111.085 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.530000000000001 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 34.240000000000002 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.299999999999997 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.230000000000004 110.854 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.84 0.352 . . . . 74.329999999999998 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.917 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 74.450000000000003 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.430000000000007 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 3' ' ' PHE . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 65.209999999999994 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 111.117 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.230000000000004 111.06 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 73.530000000000001 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.061 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 25.41 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.329999999999998 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 54.409999999999997 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.210000000000001 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.519999999999996 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 72.409999999999997 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.601 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 43.299999999999997 110.843 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.329999999999998 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 62.450000000000003 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 3' ' ' PHE . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.1 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 51.149999999999999 111.078 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.030000000000001 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 64.239999999999995 111.156 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 111.06 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 45.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.239999999999995 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.349999999999994 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 70.5 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 70.319999999999993 110.905 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 3' ' ' PHE . 1.3 pp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 63.219999999999999 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.430000000000007 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.329999999999998 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.409999999999997 110.92 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.019999999999996 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 55.399999999999999 111.179 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.509999999999998 111.109 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 53.340000000000003 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 9' ' ' VAL . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.09 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.420000000000002 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.009999999999998 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.349999999999994 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.109999999999999 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 73.129999999999995 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.623 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 50.229999999999997 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.340000000000003 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.030000000000001 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.539999999999999 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.109 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 71.239999999999995 111.035 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 75.420000000000002 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 9' ' ' VAL . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 71.209999999999994 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.509999999999998 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 63.310000000000002 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 53.32 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.5 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 72.349999999999994 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.329999999999998 110.916 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.239999999999995 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 52.32 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 3' ' ' PHE . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.87 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 34.210000000000001 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.409999999999997 111.185 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 72.129999999999995 111.072 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 74.430000000000007 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 111.131 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 61.420000000000002 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 62.130000000000003 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.519999999999996 110.9 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 53.539999999999999 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.150000000000006 110.909 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 3' ' ' PHE . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 63.039999999999999 110.894 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.140000000000001 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 71.349999999999994 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.122 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.310000000000002 111.094 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.884 0.373 . . . . 74.439999999999998 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 111.086 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.120000000000005 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.310000000000002 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.510000000000005 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.510000000000005 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 71.140000000000001 110.857 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 71.200000000000003 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.919 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 22.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.430000000000007 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.030000000000001 110.895 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 111.149 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.019999999999996 111.136 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 74.129999999999995 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 51.310000000000002 111.186 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.519999999999996 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.540000000000006 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 43.020000000000003 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 13' ' ' VAL . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 61.130000000000003 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.099999999999994 110.961 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.379 . . . . 62.25 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.937 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 43.310000000000002 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.430000000000007 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.925 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.097 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 51.329999999999998 111.034 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 74.25 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.009999999999998 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 70.430000000000007 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 65.129999999999995 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.310000000000002 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 61.43 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.230000000000004 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 74.150000000000006 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.010000000000005 110.921 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.240000000000002 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 111.005 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 73.329999999999998 111.118 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.540000000000006 111.086 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 73.420000000000002 110.803 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 17' ' ' ILE . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 71.219999999999999 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 52.100000000000001 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.140000000000001 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 34.100000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.543 ' CD1' HG12 ' A' ' 13' ' ' VAL . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 53.100000000000001 111.128 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.239999999999995 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 71.109999999999999 110.913 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 6' ' ' LEU . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.883 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.109999999999999 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.200000000000003 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 65.430000000000007 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.349999999999994 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 111.108 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.450000000000003 111.077 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 75.329999999999998 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 17' ' ' ILE . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 111.075 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.310000000000002 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.130000000000003 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.340000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 13' ' ' VAL . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.240000000000002 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.140000000000001 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 61.119999999999997 110.903 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 2' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.332 . . . . 70.099999999999994 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.349999999999994 110.818 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.030000000000001 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 3' ' ' PHE . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.122 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 54.439999999999998 111.067 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 64.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.095 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 44.200000000000003 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 43.310000000000002 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.540000000000006 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.400000000000006 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 60.329999999999998 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.019999999999996 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.239999999999995 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 110.874 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.439999999999998 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.125 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.409999999999997 111.084 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.864 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 17' ' ' ILE . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.519999999999996 111.191 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.030000000000001 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.329999999999998 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 13' ' ' VAL . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 62.520000000000003 111.057 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.439999999999998 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.329999999999998 110.903 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 65.120000000000005 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 62.210000000000001 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.150000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 111.096 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.519999999999996 111.086 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 73.030000000000001 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 62.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 64.049999999999997 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 73.409999999999997 110.812 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.865 0.364 . . . . 71.030000000000001 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.907 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 55.149999999999999 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 40.219999999999999 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 60.439999999999998 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 65.109999999999999 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 71.120000000000005 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 53.450000000000003 111.129 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.519999999999996 111.11 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.831 0.348 . . . . 73.040000000000006 110.826 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 54.299999999999997 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.230000000000004 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.430000000000007 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 64.510000000000005 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 60.109999999999999 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.230000000000004 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.150000000000006 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.615 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.81 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.239999999999995 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.430000000000007 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 45.520000000000003 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 111.096 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 42.32 111.158 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 72.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 60.340000000000003 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 62.310000000000002 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.450000000000003 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.409999999999997 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 63.039999999999999 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.310000000000002 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 71.040000000000006 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.895 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 43.420000000000002 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 44.32 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 3' ' ' PHE . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 54.219999999999999 110.955 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 71.030000000000001 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 54.140000000000001 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 72.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 65.150000000000006 111.085 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.91 0.386 . . . . 74.329999999999998 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.091 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 55.219999999999999 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.229999999999997 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 72.310000000000002 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 13' ' ' VAL . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 70.420000000000002 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.409999999999997 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 71.120000000000005 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 55.43 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 71.230000000000004 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.049999999999997 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.299999999999997 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 54.219999999999999 111.134 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.35 . . . . 74.319999999999993 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 HG12 ' A' ' 9' ' ' VAL . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 111.174 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 65.230000000000004 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.420000000000002 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 62.25 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' A' ' 13' ' ' VAL . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.038 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.129999999999995 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.519 -0.233 . . . . 45.030000000000001 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.8 -68.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 63.450000000000003 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.603 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.841 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 50.32 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 45.43 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.430000000000007 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 HG21 ' A' ' 13' ' ' VAL . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.32 98.05 1.13 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.439999999999998 111.095 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 -18.45 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.803 -1.089 . . . . 75.209999999999994 110.848 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG21 HG12 ' A' ' 9' ' ' VAL . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.109 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.140000000000001 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.439999999999998 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 63.119999999999997 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 61.229999999999997 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.230000000000004 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 70.400000000000006 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.14 23.12 5.96 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 72.140000000000001 110.87 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.901 0 CA-C-N 116.136 -0.483 . . . . 14.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.487 -0.245 . . . . 60.399999999999999 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 110.909 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.420000000000002 110.864 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 63.43 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 64.200000000000003 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 54.450000000000003 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.530000000000001 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.09 97.9 1.42 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.409999999999997 111.062 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' I4G . . . . . 0.573 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.37 -22.34 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.776 -1.102 . . . . 74.219999999999999 110.817 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 9' ' ' VAL . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 54.350000000000001 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 11' ' ' I4G . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.239999999999995 111.13 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.430000000000007 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 63.119999999999997 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 60.219999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.05 34.73 5.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.510000000000005 110.907 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.085 -0.507 . . . . 23.199999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.516 -0.234 . . . . 62.229999999999997 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.51 -66.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 70.510000000000005 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 70.150000000000006 110.876 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 51.020000000000003 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 42.219999999999999 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.124 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.02 98.18 1.44 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.030000000000001 111.036 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' I4G . . . . . 0.508 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -21.87 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.869 -1.059 . . . . 73.340000000000003 110.877 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG21 HG12 ' A' ' 9' ' ' VAL . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 51.140000000000001 111.154 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 11' ' ' I4G . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 111.085 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.530000000000001 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 34.240000000000002 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.299999999999997 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 23.62 9.93 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.230000000000004 110.854 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.867 0 CA-C-N 116.175 -0.466 . . . . 70.209999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 74.150000000000006 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 74.329999999999998 110.94 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.917 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 74.450000000000003 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.430000000000007 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 3' ' ' PHE . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 65.209999999999994 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 111.117 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.14 98.23 1.43 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.230000000000004 111.06 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' I4G . . . . . 0.504 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -21.77 13.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.854 -1.067 . . . . 73.530000000000001 110.877 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.061 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 11' ' ' I4G . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.131 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 25.41 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.329999999999998 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 54.409999999999997 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.210000000000001 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.38 23.98 10.99 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.519999999999996 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.864 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 71.239999999999995 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -69.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 72.409999999999997 110.909 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.601 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 43.299999999999997 110.843 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.329999999999998 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 62.450000000000003 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 3' ' ' PHE . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.1 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.11 98.17 1.43 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 51.149999999999999 111.078 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' I4G . . . . . 0.507 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.49 -21.71 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.81 -1.086 . . . . 75.030000000000001 110.848 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 64.239999999999995 111.156 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG23 ' CD1' ' A' ' 11' ' ' I4G . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 111.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 45.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.239999999999995 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.349999999999994 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 70.5 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.5 24.15 12.64 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 70.319999999999993 110.905 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.917 0 CA-C-N 116.129 -0.487 . . . . 2.3199999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.495 -0.242 . . . . 74.549999999999997 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 3' ' ' PHE . 1.3 pp -57.7 -50.57 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 63.219999999999999 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.430000000000007 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.329999999999998 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.409999999999997 110.92 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.019999999999996 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 55.399999999999999 111.179 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.18 97.42 1.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.509999999999998 111.109 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -20.64 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.753 -1.112 . . . . 53.340000000000003 110.816 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 9' ' ' VAL . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.09 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.420000000000002 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.009999999999998 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.349999999999994 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.109999999999999 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.41 37.51 3.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.899 0 CA-C-N 116.085 -0.507 . . . . 51.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.494 -0.242 . . . . 71.310000000000002 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -61.34 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 73.129999999999995 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.623 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 50.229999999999997 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.340000000000003 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.030000000000001 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.539999999999999 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.109 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.07 97.42 1.53 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 71.239999999999995 111.035 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.67 -20.73 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.837 -1.074 . . . . 75.420000000000002 110.871 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 9' ' ' VAL . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 71.209999999999994 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.509999999999998 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 63.310000000000002 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 53.32 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.5 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.52 37.77 3.8 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 72.349999999999994 110.892 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.13 -0.486 . . . . 70.510000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.434 -0.267 . . . . 63.420000000000002 112.434 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.41 -62.98 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 110.891 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.329999999999998 110.916 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.239999999999995 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 52.32 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 3' ' ' PHE . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.87 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 34.210000000000001 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.409999999999997 111.185 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 97.19 1.67 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 72.129999999999995 111.072 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.28 -20.94 13.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.822 -1.081 . . . . 74.430000000000007 110.847 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 111.131 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 61.420000000000002 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 62.130000000000003 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 40.52 1.41 Allowed 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.519999999999996 110.9 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.116 -0.493 . . . . 42.229999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 61.549999999999997 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 -64.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 53.539999999999999 110.882 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.150000000000006 110.909 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 3' ' ' PHE . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 63.039999999999999 110.894 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.140000000000001 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 71.349999999999994 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.122 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.09 97.23 1.65 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.310000000000002 111.094 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.59 -20.62 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.771 -1.104 . . . . 74.439999999999998 110.871 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 111.086 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.120000000000005 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.310000000000002 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.510000000000005 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.510000000000005 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.62 25.99 4.23 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 71.140000000000001 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.886 0 CA-C-N 116.165 -0.471 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 65.430000000000007 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -62.51 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 71.200000000000003 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.919 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 22.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.430000000000007 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.030000000000001 110.895 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 111.149 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.66 100.24 0.14 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.019999999999996 111.136 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.01 -9.2 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.891 -1.05 . . . . 74.129999999999995 110.901 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 51.310000000000002 111.186 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.519999999999996 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.540000000000006 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 43.020000000000003 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 13' ' ' VAL . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 61.130000000000003 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.11 35.45 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.099999999999994 110.961 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.89 0 CA-C-N 116.086 -0.507 . . . . 30.440000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 62.210000000000001 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.31 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 62.25 110.858 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.937 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 43.310000000000002 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.430000000000007 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.925 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.097 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.24 100.15 0.16 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 51.329999999999998 111.034 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -9.49 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.798 -1.092 . . . . 74.25 110.867 178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.009999999999998 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 70.430000000000007 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 65.129999999999995 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.310000000000002 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 61.43 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.55 34.99 5.0 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.230000000000004 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.922 0 CA-C-N 116.094 -0.503 . . . . 22.34 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.251 . . . . 71.239999999999995 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.82 -62.0 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 74.150000000000006 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.010000000000005 110.921 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.240000000000002 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 111.005 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 73.329999999999998 111.118 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.85 100.46 0.13 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.540000000000006 111.086 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.46 -8.85 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.883 -1.053 . . . . 73.420000000000002 110.803 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 17' ' ' ILE . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 71.219999999999999 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 52.100000000000001 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.140000000000001 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 34.100000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.543 ' CD1' HG12 ' A' ' 13' ' ' VAL . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 53.100000000000001 111.128 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 37.31 4.13 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.239999999999995 110.858 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.16 -0.473 . . . . 23.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 74.439999999999998 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -63.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 71.109999999999999 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 6' ' ' LEU . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.883 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.109999999999999 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.200000000000003 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 65.430000000000007 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.349999999999994 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 111.108 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.15 100.04 0.16 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.450000000000003 111.077 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.53 -9.56 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.853 -1.067 . . . . 75.329999999999998 110.899 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 17' ' ' ILE . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 111.075 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.310000000000002 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.130000000000003 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.340000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 13' ' ' VAL . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.240000000000002 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.140000000000001 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -102.51 -75.23 0.61 Allowed 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 61.119999999999997 110.903 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.853 0 CA-C-N 116.171 -0.468 . . . . 31.199999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.249 . . . . 72.439999999999998 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 2' ' ' LEU . 2.3 mm? -89.33 -25.67 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 70.099999999999994 110.871 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.349999999999994 110.818 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.030000000000001 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 3' ' ' PHE . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.122 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 97.22 1.64 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 54.439999999999998 111.067 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -20.85 13.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.868 -1.06 . . . . 64.310000000000002 110.894 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.095 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 44.200000000000003 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 43.310000000000002 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.540000000000006 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.86 17.34 15.41 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.400000000000006 110.902 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.122 -0.49 . . . . 43.200000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 112.478 -0.249 . . . . 54.299999999999997 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 60.329999999999998 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.019999999999996 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.239999999999995 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 110.874 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.439999999999998 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.125 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.08 100.39 0.21 Allowed 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.409999999999997 111.084 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.52 -9.54 10.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.909 -1.041 . . . . 74.310000000000002 110.864 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 17' ' ' ILE . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.519999999999996 111.191 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.030000000000001 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.329999999999998 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 13' ' ' VAL . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 62.520000000000003 111.057 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.439999999999998 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.62 37.03 4.05 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.329999999999998 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.905 0 CA-C-N 116.16 -0.473 . . . . 33.399999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.484 -0.246 . . . . 62.530000000000001 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -63.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 65.120000000000005 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 62.210000000000001 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.150000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 111.096 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.39 98.01 1.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.519999999999996 111.086 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -15.89 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.805 -1.089 . . . . 72.299999999999997 110.894 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 73.030000000000001 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 62.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 64.049999999999997 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.06 35.34 4.86 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 73.409999999999997 110.812 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.842 0 CA-C-N 116.172 -0.467 . . . . 33.109999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 41.509999999999998 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.59 -67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 71.030000000000001 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.907 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 55.149999999999999 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 40.219999999999999 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 60.439999999999998 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 65.109999999999999 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 71.120000000000005 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 53.450000000000003 111.129 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.47 98.01 1.24 Allowed 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.519999999999996 111.11 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.39 -15.79 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.822 -1.081 . . . . 73.040000000000006 110.826 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 54.299999999999997 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.230000000000004 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.430000000000007 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 64.510000000000005 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 60.109999999999999 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.04 35.94 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.230000000000004 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.876 0 CA-C-N 116.175 -0.466 . . . . 33.329999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 72.409999999999997 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.62 -68.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 75.150000000000006 110.909 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.615 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.81 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.239999999999995 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.430000000000007 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 45.520000000000003 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 111.096 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.36 97.94 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 42.32 111.158 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -15.84 14.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.87 -1.059 . . . . 72.140000000000001 110.895 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 60.340000000000003 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 62.310000000000002 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.450000000000003 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.409999999999997 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 63.039999999999999 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.2 35.06 4.96 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.310000000000002 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.848 0 CA-C-N 116.106 -0.497 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 71.519999999999996 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.87 -61.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 71.040000000000006 110.904 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.895 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 43.420000000000002 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 44.32 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 3' ' ' PHE . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 54.219999999999999 110.955 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 71.030000000000001 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 54.140000000000001 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 72.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.19 100.44 0.21 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 65.150000000000006 111.085 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.64 -9.44 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.811 -1.086 . . . . 74.329999999999998 110.911 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.091 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 55.219999999999999 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.229999999999997 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 72.310000000000002 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 13' ' ' VAL . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 70.420000000000002 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.409999999999997 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 71.120000000000005 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.52 34.5 4.88 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.131 -0.486 . . . . 61.030000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.505 -0.238 . . . . 54.32 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -61.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.865 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 55.43 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 71.230000000000004 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.049999999999997 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.299999999999997 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.44 99.85 0.71 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 54.219999999999999 111.134 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.22 -12.55 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.806 -1.088 . . . . 74.319999999999993 110.845 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 HG12 ' A' ' 9' ' ' VAL . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 111.174 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 65.230000000000004 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.420000000000002 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 62.25 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' A' ' 13' ' ' VAL . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.038 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.75 33.87 5.12 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.129999999999995 110.884 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.141 -0.482 . . . . 55.140000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.819 0.342 . . . . 63.450000000000003 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.603 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.841 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 50.32 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 45.43 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.430000000000007 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 HG21 ' A' ' 13' ' ' VAL . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.439999999999998 111.095 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.8 0.333 . . . . 75.209999999999994 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.47 HG21 HG12 ' A' ' 9' ' ' VAL . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.109 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.140000000000001 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.439999999999998 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 63.119999999999997 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 61.229999999999997 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.230000000000004 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 70.400000000000006 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 72.140000000000001 110.87 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.420000000000002 110.864 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 63.43 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 64.200000000000003 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 54.450000000000003 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.530000000000001 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.409999999999997 111.062 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.755 0.312 . . . . 74.219999999999999 110.817 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 9' ' ' VAL . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 54.350000000000001 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.239999999999995 111.13 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.430000000000007 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 63.119999999999997 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 60.219999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.510000000000005 110.907 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.812 0.339 . . . . 70.510000000000005 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 70.150000000000006 110.876 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 51.020000000000003 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 42.219999999999999 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.124 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.030000000000001 111.036 179.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.831 0.348 . . . . 73.340000000000003 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG21 HG12 ' A' ' 9' ' ' VAL . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 51.140000000000001 111.154 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 111.085 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.530000000000001 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 34.240000000000002 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.299999999999997 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.230000000000004 110.854 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.84 0.352 . . . . 74.329999999999998 110.94 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.917 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 74.450000000000003 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.430000000000007 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 3' ' ' PHE . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 65.209999999999994 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 111.117 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.230000000000004 111.06 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 73.530000000000001 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.061 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.131 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 25.41 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.329999999999998 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 54.409999999999997 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.210000000000001 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.519999999999996 110.907 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.813 0.34 . . . . 72.409999999999997 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.601 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 43.299999999999997 110.843 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.329999999999998 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 62.450000000000003 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 3' ' ' PHE . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.1 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 51.149999999999999 111.078 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.866 0.365 . . . . 75.030000000000001 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 64.239999999999995 111.156 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 111.06 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 45.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.239999999999995 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.349999999999994 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 70.5 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 70.319999999999993 110.905 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 3' ' ' PHE . 1.3 pp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 63.219999999999999 110.883 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.430000000000007 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.329999999999998 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.409999999999997 110.92 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.019999999999996 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 55.399999999999999 111.179 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.509999999999998 111.109 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 53.340000000000003 110.816 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 9' ' ' VAL . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.09 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.420000000000002 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.009999999999998 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.349999999999994 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.109999999999999 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 73.129999999999995 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.623 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 50.229999999999997 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.340000000000003 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.030000000000001 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.539999999999999 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.109 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 71.239999999999995 111.035 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.856 0.36 . . . . 75.420000000000002 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 9' ' ' VAL . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 71.209999999999994 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.509999999999998 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 63.310000000000002 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 53.32 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.5 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 72.349999999999994 110.892 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 110.891 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.329999999999998 110.916 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.239999999999995 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 52.32 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 3' ' ' PHE . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.87 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 34.210000000000001 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.409999999999997 111.185 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 72.129999999999995 111.072 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.868 0.366 . . . . 74.430000000000007 110.847 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 111.131 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 61.420000000000002 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 62.130000000000003 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.519999999999996 110.9 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.819 0.342 . . . . 53.539999999999999 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.150000000000006 110.909 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 3' ' ' PHE . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 63.039999999999999 110.894 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.140000000000001 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 71.349999999999994 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.122 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.310000000000002 111.094 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.884 0.373 . . . . 74.439999999999998 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 111.086 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.120000000000005 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.310000000000002 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.510000000000005 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.510000000000005 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 71.140000000000001 110.857 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 71.200000000000003 110.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.919 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 22.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.430000000000007 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.030000000000001 110.895 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 111.149 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.019999999999996 111.136 179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 74.129999999999995 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 51.310000000000002 111.186 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.519999999999996 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.540000000000006 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 43.020000000000003 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 13' ' ' VAL . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 61.130000000000003 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.099999999999994 110.961 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.897 0.379 . . . . 62.25 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.937 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 43.310000000000002 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.430000000000007 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.925 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.097 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 51.329999999999998 111.034 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.833 0.349 . . . . 74.25 110.867 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.009999999999998 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 70.430000000000007 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 65.129999999999995 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.310000000000002 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 61.43 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.230000000000004 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.905 0.383 . . . . 74.150000000000006 110.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.010000000000005 110.921 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.240000000000002 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 111.005 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 73.329999999999998 111.118 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.540000000000006 111.086 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.779 0.323 . . . . 73.420000000000002 110.803 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 17' ' ' ILE . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 71.219999999999999 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 52.100000000000001 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.140000000000001 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 34.100000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.543 ' CD1' HG12 ' A' ' 13' ' ' VAL . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 53.100000000000001 111.128 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.239999999999995 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 71.109999999999999 110.913 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 6' ' ' LEU . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.883 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.109999999999999 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.200000000000003 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 65.430000000000007 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.349999999999994 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 111.108 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.450000000000003 111.077 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 75.329999999999998 110.899 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 17' ' ' ILE . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 111.075 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.310000000000002 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.130000000000003 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.340000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 13' ' ' VAL . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.240000000000002 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.140000000000001 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 61.119999999999997 110.903 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 2' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.332 . . . . 70.099999999999994 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.349999999999994 110.818 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.030000000000001 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 3' ' ' PHE . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.122 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 54.439999999999998 111.067 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.921 0.391 . . . . 64.310000000000002 110.894 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.095 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 44.200000000000003 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 43.310000000000002 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.540000000000006 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.400000000000006 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.87 0.367 . . . . 60.329999999999998 110.908 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.019999999999996 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.239999999999995 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 110.874 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.439999999999998 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.125 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.409999999999997 111.084 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.864 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 17' ' ' ILE . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.519999999999996 111.191 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.030000000000001 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.329999999999998 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 13' ' ' VAL . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 62.520000000000003 111.057 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.439999999999998 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.329999999999998 110.903 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 65.120000000000005 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 62.210000000000001 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.150000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 111.096 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.519999999999996 111.086 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 73.030000000000001 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 62.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 64.049999999999997 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 73.409999999999997 110.812 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.865 0.364 . . . . 71.030000000000001 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.907 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 55.149999999999999 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 40.219999999999999 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 60.439999999999998 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 65.109999999999999 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 71.120000000000005 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 53.450000000000003 111.129 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.519999999999996 111.11 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.831 0.348 . . . . 73.040000000000006 110.826 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 54.299999999999997 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.230000000000004 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.430000000000007 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 64.510000000000005 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 60.109999999999999 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.230000000000004 110.889 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 75.150000000000006 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.615 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.81 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.239999999999995 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.430000000000007 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 45.520000000000003 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 111.096 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 42.32 111.158 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 72.140000000000001 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 60.340000000000003 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 62.310000000000002 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.450000000000003 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.409999999999997 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 63.039999999999999 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.310000000000002 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 71.040000000000006 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.895 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 43.420000000000002 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 44.32 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 3' ' ' PHE . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 54.219999999999999 110.955 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 71.030000000000001 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 54.140000000000001 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 72.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 65.150000000000006 111.085 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.91 0.386 . . . . 74.329999999999998 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.091 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 55.219999999999999 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.229999999999997 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 72.310000000000002 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 13' ' ' VAL . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 70.420000000000002 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.409999999999997 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 71.120000000000005 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 55.43 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 71.230000000000004 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.049999999999997 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.299999999999997 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 54.219999999999999 111.134 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.836 0.35 . . . . 74.319999999999993 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 HG12 ' A' ' 9' ' ' VAL . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 111.174 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 65.230000000000004 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.420000000000002 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 62.25 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' A' ' 13' ' ' VAL . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.038 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.129999999999995 110.884 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.519 -0.233 . . . . 45.030000000000001 112.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.8 -68.48 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 63.450000000000003 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.603 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.77 -28.52 56.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.841 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.29 -30.25 24.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 50.32 112.508 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.16 -24.01 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 45.43 111.106 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.2 mt -53.19 -27.58 22.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.897 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.95 65.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.430000000000007 111.096 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.51 -17.88 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.875 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG12 HG21 ' A' ' 13' ' ' VAL . 4.7 t -136.96 50.09 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.32 98.05 1.13 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.387 -0.816 . . . . 72.439999999999998 111.095 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 -18.45 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.803 -1.089 . . . . 75.209999999999994 110.848 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG21 HG12 ' A' ' 9' ' ' VAL . 79.4 t -53.66 -55.24 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.109 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -52.41 -38.55 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 62.140000000000001 111.141 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.22 -23.48 64.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 62.439999999999998 112.553 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.06 -53.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 63.119999999999997 111.085 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.9 -35.82 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 61.229999999999997 111.114 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.23 -15.31 61.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.230000000000004 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -50.36 32.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.882 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -77.77 -23.88 49.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 70.400000000000006 110.883 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.14 23.12 5.96 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.799 0.809 . . . . 72.140000000000001 110.87 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.901 0 CA-C-N 116.136 -0.483 . . . . 14.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.487 -0.245 . . . . 60.399999999999999 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -62.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 110.909 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.426 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.89 -28.63 69.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 75.420000000000002 110.864 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.59 -28.25 21.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.788 -0.72 . . . . 63.43 112.532 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.2 t -97.26 -25.26 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 64.200000000000003 111.103 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.8 mt -55.52 -25.41 37.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 54.450000000000003 110.918 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.46 -27.51 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.119999999999997 111.054 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -19.26 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 73.530000000000001 110.891 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -136.05 49.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 111.136 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.09 97.9 1.42 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.375 -0.822 . . . . 71.409999999999997 111.062 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . 0.573 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.37 -22.34 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.776 -1.102 . . . . 74.219999999999999 110.817 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 9' ' ' VAL . 72.9 t -55.58 -53.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 54.350000000000001 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.573 HG23 ' CD1' ' A' ' 11' ' ' I4G . 95.6 t -50.74 -36.26 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.239999999999995 111.13 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.81 -30.55 66.26 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 73.430000000000007 112.489 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -45.79 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.344 . . . . 63.119999999999997 111.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.6 mm -56.25 -37.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 75.329999999999998 111.147 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.77 -10.88 60.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 111.052 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -76.65 -49.96 14.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 60.219999999999999 110.883 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.63 -24.08 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.878 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.05 34.73 5.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-O 121.791 0.805 . . . . 72.510000000000005 110.907 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.902 0 CA-C-N 116.085 -0.507 . . . . 23.199999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.516 -0.234 . . . . 62.229999999999997 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -54.51 -66.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 70.510000000000005 110.902 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.68 -28.83 68.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 70.150000000000006 110.876 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.5 -28.64 21.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 51.020000000000003 112.472 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -97.06 -25.13 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.219999999999999 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.7 mt -55.13 -25.83 34.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.14 -27.45 68.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 42.219999999999999 111.077 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -61.14 -18.65 59.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 75.430000000000007 110.94 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.5 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.124 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.02 98.18 1.44 Allowed 'General case' 0 C--O 1.216 -0.708 0 CA-C-O 118.394 -0.812 . . . . 74.030000000000001 111.036 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . 0.508 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.3 -21.87 13.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.869 -1.059 . . . . 73.340000000000003 110.877 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG21 HG12 ' A' ' 9' ' ' VAL . 76.4 t -55.63 -48.38 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 51.140000000000001 111.154 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.508 HG23 ' CD1' ' A' ' 11' ' ' I4G . 86.5 t -51.1 -49.69 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 75.219999999999999 111.085 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.93 -23.34 38.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 51.530000000000001 112.467 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.63 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 34.240000000000002 111.079 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.09 -35.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 111.131 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.24 61.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 63.299999999999997 111.022 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.63 -49.7 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 110.865 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -78.14 -23.83 47.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.36 23.62 9.93 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-O 121.728 0.775 . . . . 64.230000000000004 110.854 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.867 0 CA-C-N 116.175 -0.466 . . . . 70.209999999999994 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 74.150000000000006 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 74.329999999999998 110.94 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' HA ' HD12 ' A' ' 6' ' ' LEU . 1.8 t80 -64.17 -29.09 70.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.329999999999998 110.917 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.55 21.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 74.450000000000003 112.462 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -97.14 -25.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 71.430000000000007 111.064 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 3' ' ' PHE . 9.8 mt -55.16 -25.81 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.922 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.62 68.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.096 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -60.94 -18.81 59.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 65.209999999999994 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -135.27 48.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 111.117 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.14 98.23 1.43 Allowed 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 118.352 -0.833 . . . . 71.230000000000004 111.06 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . 0.504 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -21.77 13.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.854 -1.067 . . . . 73.530000000000001 110.877 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 77.1 t -55.76 -48.09 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 65.230000000000004 111.061 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 11' ' ' I4G . 84.5 t -51.07 -49.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.310000000000002 111.131 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.89 -23.43 38.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.719 . . . . 25.41 112.474 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.95 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.784 0.326 . . . . 63.32 111.082 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.06 -35.69 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 65.329999999999998 111.105 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.55 -14.4 61.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 54.409999999999997 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.47 -49.74 31.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.210000000000001 110.916 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -78.23 -23.77 47.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 63.340000000000003 110.91 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.38 23.98 10.99 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 121.724 0.773 . . . . 74.519999999999996 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.864 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 71.239999999999995 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -69.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 72.409999999999997 110.909 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.601 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.0 -28.73 64.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 43.299999999999997 110.843 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.56 -28.46 21.73 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.779 . . . . 65.329999999999998 112.503 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -97.1 -25.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 62.450000000000003 111.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 3' ' ' PHE . 8.7 mt -55.32 -25.6 35.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 63.240000000000002 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.3 -27.57 68.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 111.097 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -61.11 -18.5 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.978 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.526 HG12 HG21 ' A' ' 13' ' ' VAL . 4.1 t -135.38 48.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.1 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.11 98.17 1.43 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.367 -0.825 . . . . 51.149999999999999 111.078 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . 0.507 ' CD1' HG23 ' A' ' 14' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.49 -21.71 13.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.81 -1.086 . . . . 75.030000000000001 110.848 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG21 HG12 ' A' ' 9' ' ' VAL . 78.8 t -55.72 -48.34 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 64.239999999999995 111.156 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG23 ' CD1' ' A' ' 11' ' ' I4G . 86.2 t -51.16 -49.62 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 111.06 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.07 -23.17 38.38 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.708 -0.758 . . . . 45.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.75 -53.79 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 70.239999999999995 111.152 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.97 -35.77 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.349999999999994 111.125 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.23 -14.61 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 111.127 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -49.92 31.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 70.5 110.866 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -78.46 -23.65 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -105.5 24.15 12.64 Favored 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 121.805 0.812 . . . . 70.319999999999993 110.905 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.917 0 CA-C-N 116.129 -0.487 . . . . 2.3199999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.495 -0.242 . . . . 74.549999999999997 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 3' ' ' PHE . 1.3 pp -57.7 -50.57 72.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 63.219999999999999 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.66 -28.72 68.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.26 -30.63 25.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 73.430000000000007 112.448 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.19 -23.7 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 64.329999999999998 111.102 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.0 mt -53.0 -27.81 21.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.409999999999997 110.92 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.04 -26.93 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 111.057 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -19.7 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.019999999999996 110.839 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.67 46.95 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 55.399999999999999 111.179 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.18 97.42 1.51 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.419 -0.801 . . . . 43.509999999999998 111.109 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -20.64 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.753 -1.112 . . . . 53.340000000000003 110.816 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 9' ' ' VAL . 69.5 t -54.85 -65.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 63.409999999999997 111.09 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.97 -30.2 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 60.420000000000002 111.082 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.35 -32.01 82.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.747 . . . . 63.009999999999998 112.54 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.03 -42.05 8.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 71.349999999999994 111.155 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.4 mm -56.39 -36.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.219999999999999 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.17 -11.0 60.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 63.109999999999999 111.096 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -50.9 13.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.894 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.73 -24.29 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.41 37.51 3.87 Favored 'General case' 0 C--O 1.205 -1.239 0 CA-C-O 121.813 0.816 . . . . 70.25 110.945 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.899 0 CA-C-N 116.085 -0.507 . . . . 51.219999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.494 -0.242 . . . . 71.310000000000002 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 -61.34 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 73.129999999999995 110.84 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.623 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -60.75 -28.56 68.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 72.329999999999998 110.927 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -30.52 25.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 50.229999999999997 112.467 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.6 t -97.21 -23.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.340000000000003 111.108 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 3' ' ' PHE . 10.1 mt -52.96 -27.76 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 75.030000000000001 110.881 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.79 65.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.539999999999999 111.071 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -60.38 -19.62 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 110.911 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG12 HG21 ' A' ' 13' ' ' VAL . 3.9 t -131.69 47.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.109 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.07 97.42 1.53 Allowed 'General case' 0 C--O 1.216 -0.674 0 CA-C-O 118.427 -0.797 . . . . 71.239999999999995 111.035 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.67 -20.73 13.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.837 -1.074 . . . . 75.420000000000002 110.871 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG21 HG12 ' A' ' 9' ' ' VAL . 74.4 t -54.74 -65.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 71.209999999999994 111.098 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.4 t -50.96 -30.12 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.509999999999998 111.155 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.37 -32.08 82.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.77 -0.729 . . . . 63.310000000000002 112.422 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.09 -42.11 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 53.32 111.039 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.5 mm -56.28 -36.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 74.25 111.12 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.88 -11.13 60.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 72.5 111.087 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.21 -50.94 13.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.909 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -76.75 -24.28 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.837 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.52 37.77 3.8 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.76 0.79 . . . . 72.349999999999994 110.892 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.898 0 CA-C-N 116.13 -0.486 . . . . 70.510000000000005 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.434 -0.267 . . . . 63.420000000000002 112.434 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.41 -62.98 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 110.891 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.64 -28.47 67.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.329999999999998 110.916 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -29.98 24.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 74.239999999999995 112.489 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.3 t -97.19 -24.05 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 52.32 111.137 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 3' ' ' PHE . 13.0 mt -53.74 -27.06 26.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.400000000000006 110.87 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.7 -27.34 66.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 34.210000000000001 111.077 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -18.91 57.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 64.230000000000004 110.893 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.49 45.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 65.409999999999997 111.185 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 97.19 1.67 Allowed 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.339 -0.839 . . . . 72.129999999999995 111.072 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.28 -20.94 13.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.822 -1.081 . . . . 74.430000000000007 110.847 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.0 t -54.99 -64.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 111.131 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.86 -31.04 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.175 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.22 -26.27 74.23 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.477 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.05 -48.36 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 61.420000000000002 111.147 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -55.94 -35.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 111.163 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.65 -15.51 62.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 72.010000000000005 111.129 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -71.1 -52.02 21.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.519999999999996 110.878 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -76.84 -23.89 52.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 62.130000000000003 110.769 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 40.52 1.41 Allowed 'General case' 0 C--O 1.206 -1.185 0 CA-C-O 121.74 0.781 . . . . 71.519999999999996 110.9 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.841 0 CA-C-N 116.116 -0.493 . . . . 42.229999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 61.549999999999997 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.14 -64.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 53.539999999999999 110.882 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.71 -28.52 65.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.150000000000006 110.909 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -30.0 24.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 52.240000000000002 112.432 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.15 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 74.109999999999999 111.135 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 3' ' ' PHE . 11.6 mt -53.76 -27.06 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 63.039999999999999 110.894 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.17 66.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 70.140000000000001 111.054 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -18.74 58.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 71.349999999999994 110.892 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.7 t -128.82 45.7 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 111.122 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.09 97.23 1.65 Allowed 'General case' 0 C--O 1.216 -0.661 0 CA-C-O 118.344 -0.836 . . . . 75.310000000000002 111.094 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.59 -20.62 13.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.771 -1.104 . . . . 74.439999999999998 110.871 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 80.3 t -54.8 -64.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 53.329999999999998 111.086 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.0 t -52.99 -30.41 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 111.105 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.44 -25.94 74.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 74.120000000000005 112.489 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -48.9 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 74.310000000000002 111.163 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.8 mt -55.84 -36.72 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 73.510000000000005 111.154 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.71 -15.27 62.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 70.510000000000005 111.076 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -51.41 24.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.897 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.84 -24.1 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.83 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.62 25.99 4.23 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.787 0.803 . . . . 71.140000000000001 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.886 0 CA-C-N 116.165 -0.471 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 65.430000000000007 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -62.51 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 71.200000000000003 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.47 -28.22 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.919 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -30.93 26.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 22.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.23 -23.16 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 72.430000000000007 111.086 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.43 -27.58 25.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.030000000000001 110.895 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.97 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.350000000000001 111.065 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -14.92 60.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 62.240000000000002 110.826 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.5 50.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 73.420000000000002 111.149 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.66 100.24 0.14 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 118.401 -0.809 . . . . 72.019999999999996 111.136 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.01 -9.2 10.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.891 -1.05 . . . . 74.129999999999995 110.901 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.2 t -58.31 -48.83 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 51.310000000000002 111.186 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.34 -44.49 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 70.519999999999996 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.12 -23.99 49.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 71.540000000000006 112.508 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.98 -50.62 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.708 0.289 . . . . 43.020000000000003 111.046 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 13' ' ' VAL . 61.5 mt -56.41 -35.54 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 74.25 111.106 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.5 -12.33 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 61.130000000000003 111.133 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -75.07 -49.91 18.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 110.805 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.85 -23.97 48.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.862 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.11 35.45 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.804 0.811 . . . . 74.099999999999994 110.961 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.89 0 CA-C-N 116.086 -0.507 . . . . 30.440000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.482 -0.247 . . . . 62.210000000000001 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.31 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 62.25 110.858 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.454 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.55 -28.18 43.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.937 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.34 -31.11 27.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 43.310000000000002 112.45 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.1 t -97.12 -23.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.894 0.378 . . . . 74.430000000000007 111.186 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 3' ' ' PHE . 12.1 mt -53.53 -27.39 25.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 74.239999999999995 110.925 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -26.04 65.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 111.148 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -64.58 -15.26 60.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.4 p -139.78 50.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.097 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.24 100.15 0.16 Allowed 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.396 -0.812 . . . . 51.329999999999998 111.034 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.65 -9.49 10.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.798 -1.092 . . . . 74.25 110.867 178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -57.8 -50.89 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 111.146 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.7 t -51.17 -39.52 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 55.009999999999998 111.105 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.85 -27.86 59.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 70.430000000000007 112.477 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.19 -47.11 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 65.129999999999995 111.072 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mm -56.74 -35.61 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.106 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.4 -10.91 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 64.310000000000002 111.101 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -76.63 -49.54 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -77.76 -23.94 49.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 61.43 110.92 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.55 34.99 5.0 Favored 'General case' 0 C--O 1.206 -1.191 0 CA-C-O 121.839 0.828 . . . . 72.230000000000004 110.936 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.922 0 CA-C-N 116.094 -0.503 . . . . 22.34 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.474 -0.251 . . . . 71.239999999999995 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -60.82 -62.0 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.905 0.383 . . . . 74.150000000000006 110.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.453 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.44 -28.15 63.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 73.010000000000005 110.921 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.36 -30.89 26.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.689 -0.767 . . . . 62.240000000000002 112.565 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -97.19 -23.16 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.139 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.4 mt -53.35 -27.57 24.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 111.005 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.87 -25.97 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 75.329999999999998 111.092 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.81 61.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.883 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.5 p -139.58 51.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 73.329999999999998 111.118 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.85 100.46 0.13 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.414 -0.803 . . . . 74.540000000000006 111.086 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -118.46 -8.85 10.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.883 -1.053 . . . . 73.420000000000002 110.803 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' A' ' 17' ' ' ILE . 46.2 t -58.92 -48.23 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 71.219999999999999 111.144 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.23 -46.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 52.100000000000001 111.119 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.54 -23.64 43.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 75.140000000000001 112.505 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.27 -50.37 5.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.312 . . . . 34.100000000000001 111.126 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.543 ' CD1' HG12 ' A' ' 13' ' ' VAL . 70.7 mt -56.34 -35.74 44.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 53.100000000000001 111.128 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.38 -12.42 60.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 75.329999999999998 111.046 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -75.1 -49.85 18.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.450000000000003 110.863 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -78.07 -23.91 47.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.877 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.81 37.31 4.13 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.76 0.79 . . . . 71.239999999999995 110.858 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.16 -0.473 . . . . 23.41 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.235 . . . . 74.439999999999998 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -63.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 71.109999999999999 110.913 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' A' ' 6' ' ' LEU . 2.7 t80 -56.51 -28.12 59.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 65.349999999999994 110.883 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.38 -31.08 27.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 75.109999999999999 112.48 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.07 -23.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.933 0.396 . . . . 74.200000000000003 111.191 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.5 mt -53.31 -27.65 24.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 65.430000000000007 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.65 -26.1 65.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 73.299999999999997 111.085 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -15.07 60.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 71.349999999999994 110.932 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 14.2 p -139.43 50.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 72.299999999999997 111.108 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.15 100.04 0.16 Allowed 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 118.26 -0.876 . . . . 55.450000000000003 111.077 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.53 -9.56 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.853 -1.067 . . . . 75.329999999999998 110.899 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 17' ' ' ILE . 48.2 t -57.84 -48.11 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 111.075 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.36 -43.74 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 75.310000000000002 111.116 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.54 -25.07 54.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 51.130000000000003 112.456 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.8 -53.74 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 65.340000000000003 111.134 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CD1' HG12 ' A' ' 13' ' ' VAL . 67.8 mt -56.43 -35.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.52 -10.58 59.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 52.240000000000002 111.038 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.49 -48.33 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 74.140000000000001 110.842 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.23 -19.94 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.219999999999999 110.923 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -102.51 -75.23 0.61 Allowed 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.748 0.785 . . . . 61.119999999999997 110.903 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.853 0 CA-C-N 116.171 -0.468 . . . . 31.199999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.479 -0.249 . . . . 72.439999999999998 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 2' ' ' LEU . 2.3 mm? -89.33 -25.67 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.332 . . . . 70.099999999999994 110.871 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.604 ' CD1' HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -80.33 -29.78 38.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 74.349999999999994 110.818 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.37 -29.94 24.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.6 t -97.13 -24.14 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 65.030000000000001 111.114 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD12 ' CD1' ' A' ' 3' ' ' PHE . 10.7 mt -53.62 -27.22 25.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.57 -27.2 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 111.142 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.77 -18.86 57.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 72.549999999999997 110.911 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.519 HG12 HG21 ' A' ' 13' ' ' VAL . 3.8 t -129.0 45.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.122 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 97.22 1.64 Allowed 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.42 -0.8 . . . . 54.439999999999998 111.067 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -20.85 13.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.868 -1.06 . . . . 64.310000000000002 110.894 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 9' ' ' VAL . 78.4 t -54.91 -64.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 111.095 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -52.83 -30.83 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 111.162 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.25 -26.23 74.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 52.039999999999999 112.502 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.17 -48.51 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 44.200000000000003 111.026 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -56.05 -35.97 43.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.426 . . . . 75.25 111.087 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.49 -14.53 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.054 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -72.14 -51.4 21.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 43.310000000000002 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -76.49 -24.33 53.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 75.540000000000006 110.791 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.86 17.34 15.41 Favored 'General case' 0 C--O 1.207 -1.178 0 CA-C-O 121.798 0.809 . . . . 75.400000000000006 110.902 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.122 -0.49 . . . . 43.200000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 112.478 -0.249 . . . . 54.299999999999997 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 60.329999999999998 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.28 -28.16 51.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.549999999999997 110.862 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.21 27.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 73.019999999999996 112.485 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.6 t -97.09 -23.15 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 73.239999999999995 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -53.31 -27.63 24.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 73.400000000000006 110.874 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.430000000000007 111.069 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -64.17 -15.57 60.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 73.439999999999998 110.881 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p -138.87 49.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.125 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.08 100.39 0.21 Allowed 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 118.352 -0.832 . . . . 74.409999999999997 111.084 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.52 -9.54 10.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.909 -1.041 . . . . 74.310000000000002 110.864 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 17' ' ' ILE . 49.6 t -57.68 -50.85 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 75.519999999999996 111.191 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -51.93 -37.21 20.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 75.030000000000001 111.105 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.34 -26.03 63.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.816 -0.707 . . . . 63.329999999999998 112.448 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.81 -49.32 5.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 73.230000000000004 111.081 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 13' ' ' VAL . 60.7 mt -56.36 -35.7 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 62.520000000000003 111.057 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.59 -12.95 60.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 63.439999999999998 111.081 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -74.39 -50.33 18.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 70.099999999999994 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.89 -23.79 48.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.797 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.62 37.03 4.05 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-O 121.842 0.83 . . . . 75.329999999999998 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.905 0 CA-C-N 116.16 -0.473 . . . . 33.399999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.484 -0.246 . . . . 62.530000000000001 112.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -63.54 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.342 . . . . 74.409999999999997 110.874 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.32 -28.2 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.39 -31.27 27.78 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.736 -0.745 . . . . 65.120000000000005 112.514 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -97.22 -22.88 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 62.210000000000001 111.102 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.44 -27.48 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 72.230000000000004 110.939 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.78 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 111.084 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -60.58 -19.79 58.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 74.150000000000006 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.8 p -134.42 40.19 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 73.219999999999999 111.096 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.39 98.01 1.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 CA-C-O 118.373 -0.822 . . . . 64.519999999999996 111.086 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -15.89 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.805 -1.089 . . . . 72.299999999999997 110.894 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.28 -57.71 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 111.109 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.04 -30.68 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 73.030000000000001 111.1 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.11 -31.66 81.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 62.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.95 -44.28 7.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 73.25 111.117 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.4 -36.92 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 74.219999999999999 111.133 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -10.88 60.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 111.059 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -50.27 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.878 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.18 -24.08 51.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 64.049999999999997 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.06 35.34 4.86 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 121.677 0.751 . . . . 73.409999999999997 110.812 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.842 0 CA-C-N 116.172 -0.467 . . . . 33.109999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 41.509999999999998 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.59 -67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.364 . . . . 71.030000000000001 110.902 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.23 -28.26 51.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.907 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.32 -31.3 27.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.796 -0.716 . . . . 55.149999999999999 112.529 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.25 -22.85 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 40.219999999999999 111.072 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.8 mt -53.45 -27.5 25.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 60.439999999999998 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.68 -28.79 66.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 65.109999999999999 111.126 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -60.62 -19.67 58.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 71.120000000000005 110.887 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -134.54 40.12 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 53.450000000000003 111.129 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.47 98.01 1.24 Allowed 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 118.385 -0.817 . . . . 74.519999999999996 111.11 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.39 -15.79 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.822 -1.081 . . . . 73.040000000000006 110.826 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.0 t -51.32 -57.68 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 54.299999999999997 111.126 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.94 -30.68 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 73.230000000000004 111.149 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.73 81.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 71.430000000000007 112.466 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.91 -44.3 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 64.510000000000005 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.2 mm -56.42 -36.8 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.99 -10.94 60.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 60.109999999999999 111.117 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -76.61 -50.14 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 72.430000000000007 110.924 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.31 -23.88 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.802 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.04 35.94 4.64 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.781 0.801 . . . . 74.230000000000004 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.876 0 CA-C-N 116.175 -0.466 . . . . 33.329999999999998 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.498 -0.241 . . . . 72.409999999999997 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -68.62 -68.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 75.150000000000006 110.909 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.615 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -54.53 -28.26 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 110.81 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.33 -31.4 27.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.792 -0.718 . . . . 70.239999999999995 112.448 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.28 -22.8 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 73.430000000000007 111.109 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.9 mt -53.34 -27.62 24.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 -28.87 66.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 45.520000000000003 111.096 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -19.74 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.906 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.6 p -134.54 40.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 111.096 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.36 97.94 1.25 Allowed 'General case' 0 C--O 1.215 -0.717 0 CA-C-O 118.335 -0.84 . . . . 42.32 111.158 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -15.84 14.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.87 -1.059 . . . . 72.140000000000001 110.895 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.33 -57.75 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 60.340000000000003 111.106 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.08 -30.54 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 62.310000000000002 111.089 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.57 81.21 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.703 -0.761 . . . . 74.450000000000003 112.4 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.08 -44.08 7.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 74.409999999999997 111.132 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.1 mm -56.47 -36.88 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 111.126 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.83 -11.02 60.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.094 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.55 -50.25 14.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -77.3 -23.95 50.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 63.039999999999999 110.914 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.2 35.06 4.96 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-O 121.764 0.792 . . . . 74.310000000000002 110.864 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.516 7.848 0 CA-C-N 116.106 -0.497 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.515 -0.234 . . . . 71.519999999999996 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -80.87 -61.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.804 0.335 . . . . 71.040000000000006 110.904 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -57.17 -28.15 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.895 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 -31.11 26.85 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 43.420000000000002 112.487 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.2 -23.06 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.928 0.394 . . . . 44.32 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 3' ' ' PHE . 11.5 mt -53.3 -27.62 23.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 54.219999999999999 110.955 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.24 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 71.030000000000001 111.102 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -15.53 60.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 54.140000000000001 110.898 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.6 p -138.88 49.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 72.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.19 100.44 0.21 Allowed 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 118.368 -0.825 . . . . 65.150000000000006 111.085 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.64 -9.44 10.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.811 -1.086 . . . . 74.329999999999998 110.911 178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 17' ' ' ILE . 47.6 t -58.13 -50.98 76.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.091 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.8 t -52.18 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 55.219999999999999 111.151 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.12 67.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.678 -0.772 . . . . 60.229999999999997 112.544 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.04 -49.16 5.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.768 0.318 . . . . 72.310000000000002 111.119 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 13' ' ' VAL . 68.9 mt -56.04 -36.48 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 70.420000000000002 111.105 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.71 -13.28 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 65.409999999999997 111.105 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -73.78 -50.82 18.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.888 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -77.53 -23.84 50.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 71.120000000000005 110.905 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.52 34.5 4.88 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 121.857 0.837 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.131 -0.486 . . . . 61.030000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.505 -0.238 . . . . 54.32 112.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -61.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.865 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.559 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.61 -28.1 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.95 -27.62 22.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.786 -0.721 . . . . 55.43 112.439 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -97.12 -26.36 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 71.230000000000004 111.117 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 3' ' ' PHE . 11.6 mt -55.19 -25.37 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.899 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.68 -22.82 67.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 60.049999999999997 111.158 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -11.79 61.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 72.299999999999997 110.951 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG12 HG21 ' A' ' 13' ' ' VAL . 4.0 t -139.88 52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.44 99.85 0.71 Allowed 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.364 -0.827 . . . . 54.219999999999999 111.134 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.22 -12.55 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.806 -1.088 . . . . 74.319999999999993 110.845 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 HG12 ' A' ' 9' ' ' VAL . 97.8 t -59.97 -47.9 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 111.174 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.32 -48.47 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 65.230000000000004 111.108 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.91 -23.33 37.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 63.420000000000002 112.522 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.32 -51.39 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 62.25 111.072 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG12 ' A' ' 13' ' ' VAL . 69.5 mt -56.07 -36.46 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.038 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -13.56 61.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 111.121 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.69 -50.09 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.897 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -78.28 -23.73 47.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 63.130000000000003 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.75 33.87 5.12 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-O 121.736 0.779 . . . . 73.129999999999995 110.884 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.141 -0.482 . . . . 55.140000000000001 . . . . . . . . . . 1 1 . 1 stop_ save_