data_2mn9_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 2mn9 _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 . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.792 0.33 . . . . 74.0 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.34 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.133 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 75.02 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.42 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.13 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.097 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 72.23 110.955 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 54.25 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 71.45 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.3 111.143 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.815 0.341 . . . . 72.2 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.22 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.43 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.879 0.371 . . . . 75.34 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.52 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 44.2 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.53 111.115 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.888 0.375 . . . . 72.44 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.11 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.51 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.24 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.144 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 74.23 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 71.21 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 72.45 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.145 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 74.41 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.23 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 63.43 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 73.23 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.111 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 75.3 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 75.14 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.51 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.187 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 70.05 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 74.04 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.119 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 75.41 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.2 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.22 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.15 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.128 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 75.01 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.43 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.3 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.126 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 73.24 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.35 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.21 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 75.11 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.52 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.13 111.141 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 74.21 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 73.33 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 75.51 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.13 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.074 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.864 0.364 . . . . 74.11 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.55 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.55 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.34 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 74.02 111.127 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 72.21 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.1 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 74.3 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 53.03 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 75.45 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.44 111.068 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 72.5 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.24 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.05 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 71.34 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.24 111.116 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 71.51 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.3 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 70.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.44 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.35 111.106 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.357 . . . . 73.33 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.41 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.149 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 64.31 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 73.35 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 65.43 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 62.42 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.14 111.15 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.499 -0.24 . . . . 65.42 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -86.39 -12.28 49.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 74.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 54.44 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.34 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -75.76 -30.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.133 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.29 -19.47 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.24 111.096 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.29 -8.32 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.113 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.32 151.45 29.49 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 118.35 -0.833 . . . . 71.22 110.872 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 t -144.01 55.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.804 -1.089 . . . . 73.3 111.154 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.54 -69.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 75.53 112.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.76 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 71.32 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.78 -40.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.13 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.23 92.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.34 111.086 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -67.87 -21.5 65.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 64.44 110.859 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -29.7 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.838 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -85.75 -22.14 27.9 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-O 121.777 0.798 . . . . 75.14 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.885 0 CA-C-N 116.168 -0.469 . . . . 51.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.249 . . . . 71.22 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.41 -12.32 54.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 75.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.42 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.13 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.29 -30.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.34 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.36 -19.38 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.32 111.079 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.32 -8.19 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 70.43 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.48 151.3 39.58 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 118.394 -0.813 . . . . 72.13 110.892 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -144.1 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.802 -1.09 . . . . 62.24 111.084 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.45 -45.8 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 54.13 112.511 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.08 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 74.33 111.101 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mt -59.8 -41.45 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.2 111.123 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 -27.01 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.071 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -21.51 58.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.894 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -77.44 -32.92 54.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.34 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.52 -7.03 42.39 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-O 121.814 0.816 . . . . 75.44 110.922 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.897 0 CA-C-N 116.112 -0.494 . . . . 61.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 74.23 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.94 -12.25 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 72.23 110.955 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 54.25 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 71.45 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.63 -30.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.3 111.143 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -19.4 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -8.29 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 71.34 111.105 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.03 151.39 37.17 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.37 -0.824 . . . . 75.53 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.857 -1.065 . . . . 73.1 111.13 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -68.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 55.23 112.464 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.88 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 72.13 111.136 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mt -57.02 -39.2 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 75.12 111.081 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.0 53.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.121 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -21.57 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.842 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.13 -34.54 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -96.42 -1.84 46.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.777 0.799 . . . . 74.21 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.881 0 CA-C-N 116.119 -0.491 . . . . 63.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 74.25 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -84.2 -12.33 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 72.2 110.889 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.22 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.43 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.0 -30.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.42 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 60.11 111.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.28 -8.45 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 71.02 111.097 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 151.47 23.94 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.337 -0.84 . . . . 74.12 110.887 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.44 5.73 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 114.87 -1.059 . . . . 71.24 111.145 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.57 -38.4 14.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 65.4 112.518 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.08 87.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 63.23 111.062 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.73 -41.15 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.14 111.16 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.63 64.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.43 111.081 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -21.5 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -70.62 -45.53 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.864 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 -69.53 0.77 Allowed 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 121.802 0.81 . . . . 70.45 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.163 -0.471 . . . . 43.51 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.443 -0.263 . . . . 53.24 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -86.86 -12.31 48.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 75.34 110.91 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.52 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 44.2 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.35 -30.42 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.53 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -19.4 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.31 111.072 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.37 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 65.2 111.105 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.88 151.36 27.34 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 118.351 -0.833 . . . . 70.51 110.856 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -121.28 5.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.844 -1.071 . . . . 75.13 111.157 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.02 54.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 75.13 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -60.24 3.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 62.23 111.113 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mt -59.77 -43.83 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.158 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.35 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.123 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -21.5 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 73.11 110.903 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -92.89 -27.02 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -88.15 -23.94 23.49 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.761 0.791 . . . . 74.2 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.854 0 CA-C-N 116.195 -0.457 . . . . 34.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 71.45 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.78 -12.4 39.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 72.44 110.938 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.11 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.51 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.24 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.47 -30.44 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.144 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -19.44 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.68 -8.27 58.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.8 151.45 30.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.389 -0.815 . . . . 73.43 110.832 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -108.91 5.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.875 -1.057 . . . . 74.43 111.144 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.81 -43.06 99.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 74.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.52 -44.92 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 74.31 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.77 -40.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.099 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.34 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.33 111.102 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.76 -21.5 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -28.26 27.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -100.07 9.0 43.54 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-O 121.771 0.796 . . . . 74.53 110.87 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.134 -0.485 . . . . 74.32 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.236 . . . . 74.21 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -87.4 -12.35 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 74.23 110.898 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 71.21 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 72.45 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.79 -30.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.145 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -19.36 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.083 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.69 -8.42 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.117 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.81 151.43 24.34 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 118.375 -0.822 . . . . 75.21 110.86 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.71 5.86 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.824 -1.08 . . . . 63.35 111.162 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.53 95.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 61.12 112.533 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.05 -58.7 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.328 . . . . 63.42 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.78 -39.36 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.32 111.098 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.61 -30.09 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.072 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -21.48 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 72.44 110.855 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.46 -28.99 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.855 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.27 -28.75 23.58 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.816 0.817 . . . . 75.52 110.913 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.159 -0.473 . . . . 63.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 75.43 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.78 -12.3 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 74.41 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 75.23 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 63.43 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 73.23 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.39 -29.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.111 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.05 55.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 70.32 111.086 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 -3.97 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 74.05 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.76 90.85 3.42 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.426 -0.797 . . . . 74.45 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -143.99 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 75.43 111.152 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.66 -63.0 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 45.34 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -46.25 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 73.42 111.101 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.64 -36.11 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.095 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.8 -27.13 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -76.2 -21.45 56.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.924 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -79.01 -34.36 44.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.834 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -103.99 25.69 9.64 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 121.804 0.812 . . . . 71.53 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.909 0 CA-C-N 116.114 -0.493 . . . . 64.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 50.23 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -80.2 -12.31 59.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 75.3 110.905 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 75.14 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.51 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.63 -30.12 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.187 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.0 55.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.43 111.091 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -3.05 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 72.14 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.74 90.87 3.42 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.377 -0.821 . . . . 54.21 110.841 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -143.87 55.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 114.821 -1.081 . . . . 71.53 111.159 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.77 -66.99 1.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 73.03 112.45 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -38.78 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 74.42 111.068 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.9 mt -57.03 -39.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 74.33 111.132 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.86 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.099 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -21.46 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.58 -27.24 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.851 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.12 -0.57 55.22 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 121.803 0.811 . . . . 75.1 110.9 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.154 -0.475 . . . . 61.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 51.2 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.78 -12.31 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 70.05 110.879 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 74.04 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.17 -30.41 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -19.37 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.145 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.84 -8.5 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.02 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.32 151.42 24.05 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 118.374 -0.822 . . . . 74.41 110.872 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 t -99.04 5.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.87 -1.059 . . . . 71.02 111.116 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.51 -44.36 8.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 51.44 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.71 -43.45 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.77 -44.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 71.11 111.154 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.13 84.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.41 111.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.87 -21.5 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.932 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -82.19 -32.65 29.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 71.15 110.887 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.56 -22.55 24.75 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 121.771 0.796 . . . . 70.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.209 -0.451 . . . . 65.51 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.482 -0.247 . . . . 73.35 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -85.78 -12.29 51.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 75.41 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.2 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.22 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 75.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 63.15 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -30.41 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.46 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.093 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.12 -8.42 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.44 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.78 151.46 25.18 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.449 -0.786 . . . . 75.13 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.56 5.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.858 -1.065 . . . . 74.12 111.124 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.58 -58.44 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.497 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -29.48 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 74.33 111.091 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.74 -43.55 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 75.33 111.071 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.64 -25.51 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.13 -21.51 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 61.52 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.04 -36.95 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.01 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -91.39 -21.31 21.05 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.813 0.816 . . . . 72.11 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.121 -0.49 . . . . 71.51 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 54.43 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.54 -12.28 40.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 75.01 110.901 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.43 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.3 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.19 -29.92 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.88 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 62.31 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.43 -3.34 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.3 111.111 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.83 90.85 3.42 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.397 -0.811 . . . . 75.42 110.828 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.99 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.776 -1.102 . . . . 73.43 111.141 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.94 -52.82 2.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.57 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.315 . . . . 73.42 111.111 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.3 -39.37 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.122 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -53.29 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.49 -20.09 58.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -93.56 -25.28 17.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.891 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.86 -26.03 29.8 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 121.766 0.794 . . . . 70.11 110.879 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.147 -0.479 . . . . 72.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.5 -0.24 . . . . 70.4 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -87.97 -12.21 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 73.24 110.937 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.35 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.21 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 75.11 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.52 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.18 -30.37 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.13 111.141 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -20.24 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.2 111.125 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.86 42.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.12 111.082 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 90.84 3.42 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.397 -0.811 . . . . 53.45 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.9 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.861 -1.063 . . . . 71.22 111.117 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.62 -68.83 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 52.24 112.485 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.61 80.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 70.44 111.112 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.68 -47.88 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.07 -52.6 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 73.52 111.109 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -20.16 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.916 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -94.38 -25.1 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -83.95 -22.48 31.45 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.787 0.803 . . . . 72.12 110.916 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.135 -0.484 . . . . 51.14 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.533 -0.227 . . . . 73.14 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -90.04 -11.57 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 74.21 110.921 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 73.33 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 75.51 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.04 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 62.13 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.92 -30.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.074 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -19.5 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.54 -8.4 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 71.2 111.128 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 151.43 23.55 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.402 -0.809 . . . . 75.13 110.856 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.04 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.825 -1.08 . . . . 75.52 111.124 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.08 -54.39 2.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 63.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.4 60.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 64.33 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.31 -37.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.04 111.083 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -31.87 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.23 111.104 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.12 -21.49 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.21 110.886 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -89.02 -33.74 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -93.22 8.76 38.93 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 121.786 0.803 . . . . 71.02 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.871 0 CA-C-N 116.144 -0.48 . . . . 63.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 43.51 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.84 -12.25 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 74.11 110.936 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.55 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.55 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.34 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.32 -30.27 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 74.02 111.127 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -19.87 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.15 111.123 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.84 -1.88 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.63 91.02 3.46 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 118.425 -0.797 . . . . 63.45 110.889 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.5 t -86.45 5.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.78 -1.1 . . . . 73.41 111.14 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.31 -50.36 16.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 75.21 112.532 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.79 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.25 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mt -60.41 -45.51 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.132 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.5 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.43 111.085 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.05 -21.42 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.876 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -27.3 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.859 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -113.81 -75.85 0.59 Allowed 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 121.754 0.788 . . . . 62.32 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.169 -0.469 . . . . 64.12 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.525 -0.23 . . . . 72.21 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -88.16 -12.3 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 72.21 110.888 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.1 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 74.3 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 53.03 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 75.45 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.07 -30.41 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.44 111.068 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -18.8 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.43 111.082 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 -8.06 54.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 75.3 111.089 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 149.01 6.85 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.41 -0.805 . . . . 75.4 110.838 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.6 t -144.03 55.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 75.03 111.176 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.48 8.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 63.43 112.499 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.15 -53.36 58.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 64.31 111.091 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.38 -32.55 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.13 111.124 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.25 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 70.55 111.147 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -21.51 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 71.41 110.896 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -85.87 -29.18 23.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.898 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -93.65 8.36 41.18 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 121.799 0.809 . . . . 72.53 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.163 -0.471 . . . . 64.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.454 -0.259 . . . . 73.31 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.31 -12.22 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 72.5 110.932 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.24 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.05 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 71.34 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.38 -30.44 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.24 111.116 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.39 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.098 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.6 -11.78 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.33 111.129 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 106.6 0.14 Allowed 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.39 -0.814 . . . . 73.53 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -144.0 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.843 -1.071 . . . . 75.31 111.158 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.59 -68.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 75.52 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.55 92.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 75.03 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mt -57.77 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.2 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.03 -21.56 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.86 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -40.4 85.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -90.02 -8.58 51.22 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.727 0.775 . . . . 73.34 110.806 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.212 -0.449 . . . . 63.01 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 75.11 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.01 -16.05 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 71.51 110.913 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.3 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 70.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.4 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.44 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.43 -30.49 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.35 111.106 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.46 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.3 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 72.55 111.078 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 151.45 31.69 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.42 -0.8 . . . . 74.03 110.827 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -124.46 5.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.798 -1.092 . . . . 75.42 111.127 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.06 72.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 62.42 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.307 . . . . 74.31 111.096 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.77 -44.53 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.34 111.111 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -29.18 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.108 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.71 -21.49 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.29 -28.34 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.05 -10.89 45.77 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 121.801 0.81 . . . . 74.44 110.941 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.12 -0.491 . . . . 60.14 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 72.13 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.86 -16.08 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 73.33 110.922 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.41 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 71.11 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.53 -30.42 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.149 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.4 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 70.2 111.088 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.59 -8.31 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.076 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 151.38 33.94 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 118.391 -0.814 . . . . 74.34 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -98.55 5.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 114.842 -1.072 . . . . 65.54 111.098 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.36 -48.67 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 72.1 112.471 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.92 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 75.33 111.083 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.73 -48.8 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.58 65.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.096 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -76.51 -21.51 55.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.896 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -81.01 -27.97 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.882 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -122.18 26.02 8.71 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-O 121.808 0.813 . . . . 75.52 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.894 0 CA-C-N 116.175 -0.466 . . . . 62.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.481 -0.248 . . . . 75.42 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.83 -12.21 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 64.31 110.909 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 73.35 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 65.43 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 62.42 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.56 -29.98 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.14 111.15 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.95 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.073 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.29 -3.49 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 71.05 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.77 90.83 3.42 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.359 -0.829 . . . . 74.22 110.863 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.803 -1.09 . . . . 71.21 111.124 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.41 -67.1 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 71.32 112.505 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.71 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.24 111.107 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.39 -36.85 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.14 111.116 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.17 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.22 111.123 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.27 -21.52 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -81.23 -39.97 24.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -101.05 20.15 16.11 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.781 0.8 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.15 -0.477 . . . . 53.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.792 0.33 . . . . 61.14 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.32 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.34 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.52 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 55.44 111.133 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 75.02 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.42 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.13 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.097 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 71.34 110.955 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 52.05 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 61.34 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 53.32 111.143 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.815 0.341 . . . . 62.32 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.22 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.43 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.879 0.371 . . . . 42.13 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.52 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 25.33 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.115 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.888 0.375 . . . . 71.42 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.11 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.51 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.24 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.144 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 73.44 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 52.05 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 70.25 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.21 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 71.53 111.145 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 70.04 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 55.04 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 72.11 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.33 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.111 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 72.44 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 50.03 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 52.13 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.51 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.05 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.187 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 60.5 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.24 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 53.1 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.119 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 74.42 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.2 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.22 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.13 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 30.22 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.128 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 63.23 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.43 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 65.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.3 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.126 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 64.44 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.35 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.21 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 72.24 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 60.42 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.141 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 2' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 74.02 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 54.14 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 72.53 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 54.31 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 51.52 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.074 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.864 0.364 . . . . 70.13 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.55 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.55 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.34 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.24 111.127 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 62.23 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.1 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 64.31 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.33 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.44 111.068 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 72.24 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.24 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.05 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.22 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.12 111.116 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 63.2 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.3 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 65.1 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 71.21 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.44 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 45.34 111.106 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.357 . . . . 73.31 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.41 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.149 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 64.31 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 44.43 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 42.45 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.14 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.05 111.15 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.499 -0.24 . . . . 65.42 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -86.39 -12.28 49.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 61.14 110.886 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.34 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.32 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.34 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.52 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.45 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -75.76 -30.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 55.44 111.133 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.29 -19.47 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.24 111.096 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.29 -8.32 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.05 111.113 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.32 151.45 29.49 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 118.35 -0.833 . . . . 55.34 110.872 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 17' ' ' ILE . 12.6 t -144.01 55.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.804 -1.089 . . . . 72.11 111.154 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.54 -69.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 35.2 112.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.76 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 64.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 14' ' ' VAL . 46.8 mt -59.78 -40.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.23 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.23 92.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.11 111.086 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -67.87 -21.5 65.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 64.44 110.859 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -29.7 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 64.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -85.75 -22.14 27.9 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-O 121.777 0.798 . . . . 75.14 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.885 0 CA-C-N 116.168 -0.469 . . . . 13.04 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.249 . . . . 71.22 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.516 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -84.41 -12.32 54.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 75.02 110.891 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.31 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.42 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.31 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.13 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.29 -30.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.36 -19.38 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.32 111.079 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.32 -8.19 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 54.13 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.48 151.3 39.58 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 118.394 -0.813 . . . . 72.13 110.892 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG13 HD12 ' A' ' 17' ' ' ILE . 12.7 t -144.1 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.802 -1.09 . . . . 53.43 111.084 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.45 -45.8 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 54.13 112.511 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.08 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 74.22 111.101 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.774 HD12 HG13 ' A' ' 14' ' ' VAL . 46.5 mt -59.8 -41.45 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 70.41 111.123 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 -27.01 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.071 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -21.51 58.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 62.21 110.894 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -77.44 -32.92 54.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.34 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.52 -7.03 42.39 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-O 121.814 0.816 . . . . 74.35 110.922 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.897 0 CA-C-N 116.112 -0.494 . . . . 61.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 74.23 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.94 -12.25 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 71.34 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.14 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 52.05 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 61.34 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.63 -30.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 53.32 111.143 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -19.4 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -8.29 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 34.34 111.105 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.03 151.39 37.17 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.37 -0.824 . . . . 75.53 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.857 -1.065 . . . . 73.1 111.13 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -68.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 55.23 112.464 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.88 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 61.54 111.136 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mt -57.02 -39.2 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 34.03 111.081 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.0 53.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.03 111.121 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -21.57 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.842 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.13 -34.54 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 64.33 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -96.42 -1.84 46.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.777 0.799 . . . . 71.31 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.881 0 CA-C-N 116.119 -0.491 . . . . 21.01 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 32.53 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -84.2 -12.33 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 62.32 110.889 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.22 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.43 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.55 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.41 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.0 -30.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.42 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 40.42 111.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.28 -8.45 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 61.12 111.097 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 151.47 23.94 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.337 -0.84 . . . . 74.12 110.887 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -123.44 5.73 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 114.87 -1.059 . . . . 71.24 111.145 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.57 -38.4 14.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 65.4 112.518 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.08 87.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 63.23 111.062 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.73 -41.15 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.16 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.63 64.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.12 111.081 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -21.5 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.54 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -70.62 -45.53 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.864 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 -69.53 0.77 Allowed 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 121.802 0.81 . . . . 70.45 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.163 -0.471 . . . . 32.54 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.443 -0.263 . . . . 34.31 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -86.86 -12.31 48.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 42.13 110.91 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.52 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 25.33 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.35 -30.42 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.1 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -19.4 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.31 111.072 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.37 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 60.43 111.105 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.88 151.36 27.34 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 118.351 -0.833 . . . . 70.51 110.856 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -121.28 5.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.844 -1.071 . . . . 75.13 111.157 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.02 54.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 62.41 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -60.24 3.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 62.02 111.113 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mt -59.77 -43.83 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.158 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.35 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.12 111.123 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -21.5 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 55.33 110.903 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -92.89 -27.02 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -88.15 -23.94 23.49 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.761 0.791 . . . . 64.43 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.854 0 CA-C-N 116.195 -0.457 . . . . 25.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 71.45 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.4 39.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 71.42 110.938 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.14 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.11 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.51 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.24 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.22 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.47 -30.44 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.144 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -19.44 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.33 111.105 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.68 -8.27 58.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.8 151.45 30.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.389 -0.815 . . . . 61.34 110.832 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 HD12 ' A' ' 17' ' ' ILE . 9.8 p -108.91 5.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.875 -1.057 . . . . 74.43 111.144 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.81 -43.06 99.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 74.42 112.521 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.52 -44.92 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 62.51 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.612 HD12 HG23 ' A' ' 14' ' ' VAL . 46.7 mt -59.77 -40.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.099 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.34 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.32 111.102 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.76 -21.5 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -28.26 27.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -100.07 9.0 43.54 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-O 121.771 0.796 . . . . 73.21 110.87 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.134 -0.485 . . . . 22.11 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.236 . . . . 74.21 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -87.4 -12.35 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 73.44 110.898 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 52.05 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 70.25 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.21 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.34 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.79 -30.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 71.53 111.145 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -19.36 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 61.15 111.083 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.69 -8.42 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.41 111.117 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.81 151.43 24.34 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 118.375 -0.822 . . . . 72.13 110.86 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -106.71 5.86 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.824 -1.08 . . . . 44.13 111.162 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.53 95.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 61.12 112.533 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.05 -58.7 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.328 . . . . 60.04 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.78 -39.36 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.31 111.098 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.61 -30.09 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.072 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -21.48 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 72.44 110.855 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.46 -28.99 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.855 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.27 -28.75 23.58 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.816 0.817 . . . . 75.52 110.913 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.159 -0.473 . . . . 22.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 75.43 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.498 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.3 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 70.04 110.912 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 55.04 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 72.11 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.01 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.33 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.39 -29.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.111 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.05 55.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 70.32 111.086 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 -3.97 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 65.34 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.76 90.85 3.42 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.426 -0.797 . . . . 71.25 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -143.99 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 72.14 111.152 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.66 -63.0 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 45.34 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -46.25 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 62.53 111.101 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.64 -36.11 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.095 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.8 -27.13 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 64.21 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -76.2 -21.45 56.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.924 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -79.01 -34.36 44.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.834 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -103.99 25.69 9.64 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 121.804 0.812 . . . . 71.53 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.909 0 CA-C-N 116.114 -0.493 . . . . 64.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 44.41 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.1 mp -80.2 -12.31 59.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 72.44 110.905 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.34 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 50.03 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 52.13 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.51 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.05 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.63 -30.12 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 60.44 111.187 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.0 55.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.42 111.091 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -3.05 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 72.14 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.74 90.87 3.42 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.377 -0.821 . . . . 51.5 110.841 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG13 HD12 ' A' ' 17' ' ' ILE . 12.4 t -143.87 55.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 114.821 -1.081 . . . . 52.14 111.159 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.77 -66.99 1.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 51.23 112.45 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -38.78 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 74.42 111.068 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.604 HD12 HG13 ' A' ' 14' ' ' VAL . 61.9 mt -57.03 -39.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.41 111.132 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.86 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.099 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -21.46 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.58 -27.24 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.851 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.12 -0.57 55.22 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 121.803 0.811 . . . . 73.05 110.9 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.154 -0.475 . . . . 2.34 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 51.11 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.31 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 60.5 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.24 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.22 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 53.1 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.05 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.17 -30.41 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.33 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -19.37 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.145 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.84 -8.5 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.04 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.32 151.42 24.05 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 118.374 -0.822 . . . . 74.41 110.872 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 14' ' ' VAL . 4.4 t -99.04 5.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.87 -1.059 . . . . 64.22 111.116 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.51 -44.36 8.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 51.44 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.71 -43.45 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.77 -44.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 45.41 111.154 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.13 84.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 64.12 111.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.87 -21.5 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.932 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -82.19 -32.65 29.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 65.2 110.887 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.56 -22.55 24.75 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 121.771 0.796 . . . . 70.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.209 -0.451 . . . . 4.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.482 -0.247 . . . . 73.35 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -85.78 -12.29 51.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 74.42 110.899 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.2 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.22 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.13 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 30.22 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -30.41 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.14 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.46 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.32 111.093 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.12 -8.42 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.3 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.78 151.46 25.18 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.449 -0.786 . . . . 72.31 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t -100.56 5.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.858 -1.065 . . . . 74.12 111.124 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.58 -58.44 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.31 112.497 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -29.48 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 74.33 111.091 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 14' ' ' VAL . 46.8 mt -59.74 -43.55 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.071 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.64 -25.51 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.31 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.13 -21.51 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 54.03 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.04 -36.95 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -91.39 -21.31 21.05 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.813 0.816 . . . . 63.2 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.121 -0.49 . . . . 13.3 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 52.13 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.54 -12.28 40.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 63.23 110.901 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.43 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 65.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.3 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.19 -29.92 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.24 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.88 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 41.43 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.43 -3.34 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.3 111.111 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.83 90.85 3.42 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.397 -0.811 . . . . 74.02 110.828 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.99 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.776 -1.102 . . . . 73.43 111.141 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.94 -52.82 2.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.43 112.442 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.57 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.315 . . . . 73.42 111.111 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.3 -39.37 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 65.11 111.122 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -53.29 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.49 -20.09 58.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -93.56 -25.28 17.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.86 -26.03 29.8 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 121.766 0.794 . . . . 63.35 110.879 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.147 -0.479 . . . . 53.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.5 -0.24 . . . . 63.4 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -87.97 -12.21 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 64.44 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.35 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.21 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 72.24 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 60.42 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.18 -30.37 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.1 111.141 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -20.24 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 64.32 111.125 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.86 42.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 34.12 111.082 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 90.84 3.42 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.397 -0.811 . . . . 53.44 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.9 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.861 -1.063 . . . . 63.53 111.117 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.62 -68.83 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 52.22 112.485 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.61 80.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 70.44 111.112 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.68 -47.88 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.07 -52.6 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 64.41 111.109 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -20.16 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 62.22 110.916 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -94.38 -25.1 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -83.95 -22.48 31.45 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.787 0.803 . . . . 72.12 110.916 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.135 -0.484 . . . . 34.41 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.533 -0.227 . . . . 63.24 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 2' ' ' LEU . 1.5 mm? -90.04 -11.57 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 74.02 110.921 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 54.14 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 72.53 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 54.31 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 51.52 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.23 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.92 -30.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.074 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -19.5 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.54 -8.4 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 64.43 111.128 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 151.43 23.55 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.402 -0.809 . . . . 75.13 110.856 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.686 HG13 HD12 ' A' ' 17' ' ' ILE . 12.5 t -144.04 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.825 -1.08 . . . . 75.52 111.124 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.08 -54.39 2.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 63.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.4 60.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 52.11 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.686 HD12 HG13 ' A' ' 14' ' ' VAL . 68.0 mt -58.31 -37.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.04 111.083 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -31.87 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.03 111.104 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.12 -21.49 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 63.31 110.886 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -89.02 -33.74 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -93.22 8.76 38.93 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 121.786 0.803 . . . . 71.02 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.871 0 CA-C-N 116.144 -0.48 . . . . 52.11 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 42.12 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.84 -12.25 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 70.13 110.936 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.55 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.55 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.34 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.44 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.34 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.32 -30.27 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.24 111.127 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -19.87 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.15 111.123 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.84 -1.88 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.54 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.63 91.02 3.46 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 118.425 -0.797 . . . . 63.45 110.889 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 17' ' ' ILE . 4.5 t -86.45 5.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.78 -1.1 . . . . 73.41 111.14 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.31 -50.36 16.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 71.53 112.532 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.79 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 53.14 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.676 HD12 HG13 ' A' ' 14' ' ' VAL . 45.7 mt -60.41 -45.51 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.132 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.5 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.43 111.085 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.05 -21.42 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.876 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -27.3 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.859 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -113.81 -75.85 0.59 Allowed 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 121.754 0.788 . . . . 62.32 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.169 -0.469 . . . . 62.31 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.525 -0.23 . . . . 72.21 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -88.16 -12.3 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 62.23 110.888 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.1 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 64.31 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.03 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.33 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.07 -30.41 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.44 111.068 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -18.8 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 44.24 111.082 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 -8.06 54.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 75.3 111.089 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 149.01 6.85 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.41 -0.805 . . . . 75.4 110.838 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 17' ' ' ILE . 12.6 t -144.03 55.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 64.35 111.176 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.48 8.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 63.43 112.499 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.15 -53.36 58.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 53.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.428 HD12 HG13 ' A' ' 14' ' ' VAL . 63.5 mt -60.38 -32.55 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.13 111.124 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.25 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 70.55 111.147 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -21.51 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 65.24 110.896 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -85.87 -29.18 23.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.898 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -93.65 8.36 41.18 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 121.799 0.809 . . . . 61.03 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.163 -0.471 . . . . 41.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.454 -0.259 . . . . 73.31 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.31 -12.22 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 72.24 110.932 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.24 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.05 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.22 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.38 -30.44 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.12 111.116 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.39 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.098 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.6 -11.78 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.33 111.129 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 106.6 0.14 Allowed 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.39 -0.814 . . . . 73.53 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -144.0 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.843 -1.071 . . . . 65.12 111.158 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.59 -68.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 75.4 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.55 92.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 75.03 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mt -57.77 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.2 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 63.15 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.03 -21.56 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.86 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -40.4 85.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -90.02 -8.58 51.22 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.727 0.775 . . . . 71.43 110.806 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.212 -0.449 . . . . 62.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 71.03 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -90.01 -16.05 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 63.2 110.913 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.3 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 65.1 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 71.21 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.44 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.43 -30.49 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 45.34 111.106 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.46 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.3 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 72.55 111.078 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 151.45 31.69 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.42 -0.8 . . . . 65.15 110.827 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -124.46 5.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.798 -1.092 . . . . 74.44 111.127 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.06 72.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 54.11 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.307 . . . . 60.54 111.096 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.77 -44.53 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.42 111.111 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -29.18 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.108 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.71 -21.49 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.29 -28.34 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 62.24 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.05 -10.89 45.77 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 121.801 0.81 . . . . 73.34 110.941 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.12 -0.491 . . . . 4.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 64.12 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -89.86 -16.08 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 73.31 110.922 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.41 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.2 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.53 -30.42 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.149 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.4 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.11 111.088 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.59 -8.31 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.076 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 151.38 33.94 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 118.391 -0.814 . . . . 74.3 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 14' ' ' VAL . 9.8 p -98.55 5.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 114.842 -1.072 . . . . 63.45 111.098 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.36 -48.67 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 72.1 112.471 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.92 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 40.51 111.083 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.73 -48.8 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.53 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.58 65.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 75.42 111.096 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -76.51 -21.51 55.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.896 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -81.01 -27.97 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 51.52 110.882 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -122.18 26.02 8.71 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-O 121.808 0.813 . . . . 75.52 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.894 0 CA-C-N 116.175 -0.466 . . . . 52.24 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.481 -0.248 . . . . 75.42 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.83 -12.21 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 64.31 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 44.43 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 42.45 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.14 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.56 -29.98 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.05 111.15 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.95 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.073 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.29 -3.49 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.25 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.77 90.83 3.42 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.359 -0.829 . . . . 74.04 110.863 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.803 -1.09 . . . . 42.21 111.124 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.41 -67.1 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 70.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.71 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.24 111.107 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.39 -36.85 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 63.54 111.116 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.17 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.22 111.123 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.27 -21.52 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -81.23 -39.97 24.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -101.05 20.15 16.11 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.781 0.8 . . . . 74.43 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.15 -0.477 . . . . 53.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.792 0.33 . . . . 61.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.32 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.340000000000003 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.399999999999999 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.520000000000003 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 55.439999999999998 111.133 179.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.892 0.377 . . . . 75.019999999999996 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.219999999999999 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.420000000000002 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 52.399999999999999 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.129999999999995 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.097 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 71.340000000000003 110.955 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.140000000000001 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 52.049999999999997 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 61.340000000000003 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 53.32 111.143 179.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.815 0.341 . . . . 62.32 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.219999999999999 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.430000000000007 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.030000000000001 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.879 0.371 . . . . 42.130000000000003 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.329999999999998 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.519999999999996 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 25.329999999999998 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.109999999999999 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.099999999999994 111.115 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.888 0.375 . . . . 71.420000000000002 110.938 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.140000000000001 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.109999999999999 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.509999999999998 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.240000000000002 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.219999999999999 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.230000000000004 111.144 179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 73.439999999999998 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 52.049999999999997 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 70.25 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 71.340000000000003 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.209999999999994 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 111.145 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.824 0.345 . . . . 70.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 55.039999999999999 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 72.109999999999999 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.010000000000005 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.310000000000002 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.329999999999998 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 111.111 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 72.439999999999998 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.340000000000003 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 50.030000000000001 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 52.130000000000003 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.049999999999997 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 111.187 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 60.5 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.240000000000002 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.219999999999999 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 53.100000000000001 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.340000000000003 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.049999999999997 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 111.119 179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 74.420000000000002 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.200000000000003 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.219999999999999 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 30.219999999999999 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 111.128 179.88 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.839 0.352 . . . . 63.229999999999997 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.409999999999997 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.430000000000007 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 65.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.109999999999999 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.239999999999995 111.126 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.81 0.338 . . . . 64.439999999999998 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.349999999999994 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.209999999999994 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 72.239999999999995 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.100000000000001 111.141 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 2' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.887 0.375 . . . . 74.019999999999996 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 54.140000000000001 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 72.530000000000001 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 54.310000000000002 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 51.520000000000003 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.299999999999997 111.074 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.864 0.364 . . . . 70.129999999999995 110.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.549999999999997 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.340000000000003 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.019999999999996 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.239999999999995 111.127 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 62.229999999999997 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.099999999999994 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 64.310000000000002 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.329999999999998 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.140000000000001 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.439999999999998 111.068 179.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.82 0.343 . . . . 72.239999999999995 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.209999999999994 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.239999999999995 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.040000000000006 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.049999999999997 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.219999999999999 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.119999999999997 111.116 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 63.200000000000003 110.913 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.299999999999997 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 65.099999999999994 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.439999999999998 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.430000000000007 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 45.340000000000003 111.106 179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.357 . . . . 73.310000000000002 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.340000000000003 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.409999999999997 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 65.430000000000007 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 111.149 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 64.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 44.43 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 42.450000000000003 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.140000000000001 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.049999999999997 111.15 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.499 -0.24 . . . . 65.420000000000002 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -86.39 -12.28 49.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.792 0.33 . . . . 61.140000000000001 110.886 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.51 29.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.927 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.43 48.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.32 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.84 -34.28 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 72.340000000000003 111.115 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.28 -44.39 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 62.399999999999999 110.935 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.19 66.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.520000000000003 111.122 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -56.53 -35.36 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.954 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -75.76 -30.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 55.439999999999998 111.133 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.29 -19.47 59.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.239999999999995 111.096 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.29 -8.32 51.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 73.049999999999997 111.113 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.32 151.45 29.49 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 118.35 -0.833 . . . . 55.340000000000003 110.872 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 17' ' ' ILE . 12.6 t -144.01 55.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.804 -1.089 . . . . 72.109999999999999 111.154 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.54 -69.02 1.38 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.79 -0.719 . . . . 35.200000000000003 112.478 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.76 84.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 64.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 14' ' ' VAL . 46.8 mt -59.78 -40.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 111.13 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.23 92.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.109999999999999 111.086 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -67.87 -21.5 65.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 64.439999999999998 110.859 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -29.7 68.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 64.439999999999998 110.838 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -85.75 -22.14 27.9 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-O 121.777 0.798 . . . . 75.140000000000001 110.886 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.885 0 CA-C-N 116.168 -0.469 . . . . 13.039999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.249 . . . . 71.219999999999999 112.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.516 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -84.41 -12.32 54.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 75.019999999999996 110.891 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.95 -27.31 30.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.06 -15.35 48.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 74.219999999999999 112.526 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.38 -50.26 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 72.420000000000002 111.115 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -40.23 85.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 52.399999999999999 110.889 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.51 -34.79 76.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 111.109 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -58.67 -26.93 64.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 70.129999999999995 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -67.29 -30.44 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.36 -19.38 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.32 111.079 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.32 -8.19 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 54.130000000000003 111.092 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.48 151.3 39.58 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-O 118.394 -0.813 . . . . 72.129999999999995 110.892 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG13 HD12 ' A' ' 17' ' ' ILE . 12.7 t -144.1 55.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.802 -1.09 . . . . 53.43 111.084 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.45 -45.8 6.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 54.130000000000003 112.511 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.89 -50.08 61.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 74.219999999999999 111.101 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.774 HD12 HG13 ' A' ' 14' ' ' VAL . 46.5 mt -59.8 -41.45 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 70.409999999999997 111.123 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.54 -27.01 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.209999999999994 111.071 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -21.51 58.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 62.210000000000001 110.894 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -77.44 -32.92 54.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.340000000000003 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.52 -7.03 42.39 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-O 121.814 0.816 . . . . 74.349999999999994 110.922 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.897 0 CA-C-N 116.112 -0.494 . . . . 61.140000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.453 -0.259 . . . . 74.230000000000004 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.534 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.94 -12.25 39.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 71.340000000000003 110.955 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.88 -27.42 30.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.902 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.07 -15.4 48.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.704 -0.76 . . . . 73.140000000000001 112.487 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.93 -40.03 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 52.049999999999997 111.144 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -35.26 80.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.3 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 61.340000000000003 111.122 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -79.65 -34.13 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.894 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.63 -30.39 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 53.32 111.143 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.6 -19.4 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 73.200000000000003 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.75 -8.29 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 34.340000000000003 111.105 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.03 151.39 37.17 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-O 118.37 -0.824 . . . . 75.530000000000001 110.87 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.857 -1.065 . . . . 73.099999999999994 111.13 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -68.53 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 55.229999999999997 112.464 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.88 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 61.539999999999999 111.136 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mt -57.02 -39.2 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 34.030000000000001 111.081 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.4 -30.0 53.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 111.121 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.27 -21.57 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 73.129999999999995 110.842 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.13 -34.54 68.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 64.329999999999998 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -96.42 -1.84 46.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 121.777 0.799 . . . . 71.310000000000002 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.881 0 CA-C-N 116.119 -0.491 . . . . 21.010000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 32.530000000000001 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -84.2 -12.33 55.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 62.32 110.889 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.8 -27.51 29.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.896 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.47 48.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.797 -0.716 . . . . 73.219999999999999 112.466 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.19 -25.71 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 74.430000000000007 111.153 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 tt -85.98 -26.25 25.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 72.549999999999997 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.8 -38.8 27.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -26.48 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.030000000000001 110.948 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.0 -30.46 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -19.42 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 40.420000000000002 111.129 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.28 -8.45 53.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.097 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 151.47 23.94 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.337 -0.84 . . . . 74.120000000000005 110.887 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.8 p -123.44 5.73 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 114.87 -1.059 . . . . 71.239999999999995 111.145 178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.57 -38.4 14.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 65.400000000000006 112.518 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.08 87.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.74 0.305 . . . . 63.229999999999997 111.062 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mt -59.73 -41.15 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 72.319999999999993 111.16 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -28.63 64.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.120000000000005 111.081 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -21.5 59.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 62.539999999999999 110.923 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -70.62 -45.53 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.864 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -101.18 -69.53 0.77 Allowed 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 121.802 0.81 . . . . 70.450000000000003 110.892 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.163 -0.471 . . . . 32.539999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.443 -0.263 . . . . 34.310000000000002 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -86.86 -12.31 48.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 42.130000000000003 110.91 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.79 -27.54 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 63.329999999999998 110.889 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.43 48.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.96 -47.49 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 74.519999999999996 111.128 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.95 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.2 -33.89 74.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 25.329999999999998 111.118 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -29.8 70.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.109999999999999 110.884 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.35 -30.42 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 74.099999999999994 111.115 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -19.4 60.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 74.310000000000002 111.072 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.57 -8.37 58.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 60.43 111.105 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.88 151.36 27.34 Favored 'General case' 0 C--O 1.216 -0.687 0 CA-C-O 118.351 -0.833 . . . . 70.510000000000005 110.856 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.8 p -121.28 5.96 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 114.844 -1.071 . . . . 75.129999999999995 111.157 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.02 54.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 62.409999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.84 -60.24 3.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 62.020000000000003 111.113 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.5 mt -59.77 -43.83 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 111.158 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.35 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.120000000000005 111.123 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -21.5 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 55.329999999999998 110.903 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 -92.89 -27.02 17.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.329999999999998 110.865 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -88.15 -23.94 23.49 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 121.761 0.791 . . . . 64.430000000000007 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.854 0 CA-C-N 116.195 -0.457 . . . . 25.140000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.5 -0.24 . . . . 71.450000000000003 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.525 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.4 39.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 71.420000000000002 110.938 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.43 29.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.140000000000001 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.11 -15.37 48.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 75.109999999999999 112.464 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.1 -50.11 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 63.509999999999998 111.101 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.39 -26.18 68.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.89 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.3 -26.4 62.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 61.240000000000002 111.056 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -69.0 -30.22 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 73.219999999999999 110.846 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.47 -30.44 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 72.230000000000004 111.144 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.58 -19.44 55.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.329999999999998 111.105 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.68 -8.27 58.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 74.409999999999997 111.078 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.8 151.45 30.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-O 118.389 -0.815 . . . . 61.340000000000003 110.832 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 HD12 ' A' ' 17' ' ' ILE . 9.8 p -108.91 5.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.875 -1.057 . . . . 74.430000000000007 111.144 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.81 -43.06 99.49 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.732 . . . . 74.420000000000002 112.521 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.52 -44.92 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 62.509999999999998 111.144 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.612 HD12 HG23 ' A' ' 14' ' ' VAL . 46.7 mt -59.77 -40.84 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 111.099 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.34 69.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 71.319999999999993 111.102 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.76 -21.5 66.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.430000000000007 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.4 -28.26 27.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 110.836 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -100.07 9.0 43.54 Favored 'General case' 0 C--O 1.206 -1.221 0 CA-C-O 121.771 0.796 . . . . 73.209999999999994 110.87 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.879 0 CA-C-N 116.134 -0.485 . . . . 22.109999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.509 -0.236 . . . . 74.209999999999994 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -87.4 -12.35 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.841 0.353 . . . . 73.439999999999998 110.898 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.81 -27.48 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 52.049999999999997 112.517 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.85 -25.85 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.839 0.352 . . . . 70.25 111.147 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.0 tp -72.84 -36.42 67.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 71.340000000000003 110.93 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.14 68.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 65.209999999999994 111.071 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -70.96 -35.48 72.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 72.340000000000003 110.896 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.79 -30.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 71.530000000000001 111.145 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -19.36 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 61.149999999999999 111.083 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.69 -8.42 47.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.409999999999997 111.117 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.81 151.43 24.34 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 118.375 -0.822 . . . . 72.129999999999995 110.86 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.8 p -106.71 5.86 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 114.824 -1.08 . . . . 44.130000000000003 111.162 178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.53 95.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 61.119999999999997 112.533 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.05 -58.7 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.328 . . . . 60.039999999999999 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.78 -39.36 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 111.098 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.61 -30.09 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 64.409999999999997 111.072 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -21.48 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.281 -0.418 . . . . 72.439999999999998 110.855 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.46 -28.99 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.140000000000001 110.855 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -86.27 -28.75 23.58 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.816 0.817 . . . . 75.519999999999996 110.913 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.159 -0.473 . . . . 22.420000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 75.430000000000007 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.498 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.3 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 70.040000000000006 110.912 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.86 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.99 -15.46 48.57 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 55.039999999999999 112.545 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.68 -27.36 4.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 72.109999999999999 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.29 -43.59 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.010000000000005 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -25.49 66.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 73.310000000000002 111.093 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -70.51 -27.52 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.329999999999998 110.923 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -83.39 -29.71 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 111.111 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.05 55.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 70.319999999999993 111.086 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 -3.97 43.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 65.340000000000003 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.76 90.85 3.42 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.426 -0.797 . . . . 71.25 110.899 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -143.99 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.787 -1.097 . . . . 72.140000000000001 111.152 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.66 -63.0 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 45.340000000000003 112.496 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.72 -46.25 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.718 0.294 . . . . 62.530000000000001 111.101 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.64 -36.11 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.095 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.8 -27.13 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 64.209999999999994 111.117 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -76.2 -21.45 56.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.924 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -79.01 -34.36 44.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.834 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -103.99 25.69 9.64 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 121.804 0.812 . . . . 71.530000000000001 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.909 0 CA-C-N 116.114 -0.493 . . . . 64.530000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.484 -0.246 . . . . 44.409999999999997 112.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.1 mp -80.2 -12.31 59.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 72.439999999999998 110.905 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.74 -27.56 29.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.88 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -15.53 48.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 75.340000000000003 112.501 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.98 -25.56 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 50.030000000000001 111.104 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -36.0 78.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 52.130000000000003 110.921 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.49 -26.64 68.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 64.510000000000005 111.107 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -26.3 43.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.049999999999997 110.891 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.63 -30.12 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 60.439999999999998 111.187 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.0 55.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.420000000000002 111.091 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.79 -3.05 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 72.140000000000001 111.063 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.74 90.87 3.42 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.377 -0.821 . . . . 51.5 110.841 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG13 HD12 ' A' ' 17' ' ' ILE . 12.4 t -143.87 55.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 114.821 -1.081 . . . . 52.140000000000001 111.159 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.77 -66.99 1.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 51.229999999999997 112.45 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.68 -38.78 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.786 0.327 . . . . 74.420000000000002 111.068 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.604 HD12 HG13 ' A' ' 14' ' ' VAL . 61.9 mt -57.03 -39.93 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.409999999999997 111.132 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.57 -28.86 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.099 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -21.46 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.87 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -77.58 -27.24 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.450000000000003 110.851 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.12 -0.57 55.22 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-O 121.803 0.811 . . . . 73.049999999999997 110.9 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.154 -0.475 . . . . 2.3399999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 51.109999999999999 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.78 -12.31 39.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 60.5 110.879 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.76 -27.5 29.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 61.240000000000002 110.885 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.45 48.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 54.219999999999999 112.477 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.63 -30.82 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 53.100000000000001 111.133 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.340000000000003 110.927 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.11 -35.98 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.049999999999997 111.109 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -31.65 72.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.88 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -79.17 -30.41 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.329999999999998 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.4 -19.37 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.430000000000007 111.145 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.84 -8.5 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.039999999999999 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.32 151.42 24.05 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-O 118.374 -0.822 . . . . 74.409999999999997 110.872 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 14' ' ' VAL . 4.4 t -99.04 5.75 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.87 -1.059 . . . . 64.219999999999999 111.116 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.51 -44.36 8.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 51.439999999999998 112.494 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.71 -43.45 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.409999999999997 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.4 mt -59.77 -44.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 45.409999999999997 111.154 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.13 84.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 64.120000000000005 111.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.87 -21.5 63.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.932 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -82.19 -32.65 29.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 65.200000000000003 110.887 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -87.56 -22.55 24.75 Favored 'General case' 0 C--O 1.208 -1.114 0 CA-C-O 121.771 0.796 . . . . 70.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.862 0 CA-C-N 116.209 -0.451 . . . . 4.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.482 -0.247 . . . . 73.349999999999994 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -85.78 -12.29 51.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 74.420000000000002 110.899 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.87 -27.46 30.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.46 48.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 53.200000000000003 112.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.35 -48.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 73.219999999999999 111.099 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -46.84 74.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 60.130000000000003 110.913 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.33 -34.4 47.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 30.219999999999999 111.089 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.4 -41.16 96.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 110.903 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -80.19 -30.41 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.46 65.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.319999999999993 111.093 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.12 -8.42 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 53.299999999999997 111.067 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.78 151.46 25.18 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 118.449 -0.786 . . . . 72.310000000000002 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t -100.56 5.66 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.858 -1.065 . . . . 74.120000000000005 111.124 178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.58 -58.44 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 74.310000000000002 112.497 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.98 -29.48 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 74.329999999999998 111.091 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 14' ' ' VAL . 46.8 mt -59.74 -43.55 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.120000000000005 111.071 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.64 -25.51 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.310000000000002 111.125 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -77.13 -21.51 54.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 54.030000000000001 110.862 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.04 -36.95 55.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.310000000000002 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -91.39 -21.31 21.05 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.813 0.816 . . . . 63.200000000000003 110.926 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.896 0 CA-C-N 116.121 -0.49 . . . . 13.300000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 52.130000000000003 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.54 -12.28 40.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.839 0.352 . . . . 63.229999999999997 110.901 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.51 30.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.409999999999997 110.871 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.03 -15.5 48.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 54.43 112.481 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.88 -44.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.430000000000007 111.103 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -70.39 -35.27 73.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 65.5 110.924 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.61 72.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 111.112 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -45.56 84.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.109999999999999 110.914 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.19 -29.92 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 71.239999999999995 111.126 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.88 55.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 41.43 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.43 -3.34 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 111.111 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.83 90.85 3.42 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 118.397 -0.811 . . . . 74.019999999999996 110.828 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.99 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 114.776 -1.102 . . . . 73.430000000000007 111.141 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.94 -52.82 2.84 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 74.430000000000007 112.442 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.81 -52.57 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.763 0.315 . . . . 73.420000000000002 111.111 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mt -58.3 -39.37 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 65.109999999999999 111.122 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -53.29 45.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 75.140000000000001 111.074 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -60.49 -20.09 58.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -93.56 -25.28 17.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 62.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -83.86 -26.03 29.8 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 121.766 0.794 . . . . 63.350000000000001 110.879 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.882 0 CA-C-N 116.147 -0.479 . . . . 53.219999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.5 -0.24 . . . . 63.399999999999999 112.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -87.97 -12.21 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 64.439999999999998 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.9 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.53 48.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 74.349999999999994 112.523 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.13 -27.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 72.209999999999994 111.122 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -33.56 21.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.319999999999993 110.946 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.71 -38.01 67.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 72.239999999999995 111.128 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -26.05 59.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 60.420000000000002 110.93 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -65.18 -30.37 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 63.100000000000001 111.141 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -20.24 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 64.319999999999993 111.125 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.23 -1.86 42.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 34.119999999999997 111.082 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.4 90.84 3.42 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.397 -0.811 . . . . 53.439999999999998 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.9 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.861 -1.063 . . . . 63.530000000000001 111.117 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.62 -68.83 1.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 52.219999999999999 112.485 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.61 80.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 70.439999999999998 111.112 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.6 mt -57.68 -47.88 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.07 -52.6 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 111.109 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -20.16 58.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 62.219999999999999 110.916 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -94.38 -25.1 17.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -83.95 -22.48 31.45 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 121.787 0.803 . . . . 72.120000000000005 110.916 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.888 0 CA-C-N 116.135 -0.484 . . . . 34.409999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.533 -0.227 . . . . 63.240000000000002 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 2' ' ' LEU . 1.5 mm? -90.04 -11.57 41.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 74.019999999999996 110.921 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -54.43 -26.81 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -14.51 51.73 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 54.140000000000001 112.498 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.25 -29.63 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.858 0.361 . . . . 72.530000000000001 111.143 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -38.06 78.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 54.310000000000002 110.94 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.04 -28.86 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 51.520000000000003 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.27 -39.29 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.2 t -63.92 -30.43 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.299999999999997 111.074 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.83 -19.5 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 111.088 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.54 -8.4 56.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 64.430000000000007 111.128 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.39 151.43 23.55 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 118.402 -0.809 . . . . 75.129999999999995 110.856 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.686 HG13 HD12 ' A' ' 17' ' ' ILE . 12.5 t -144.04 55.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 114.825 -1.08 . . . . 75.519999999999996 111.124 178.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.08 -54.39 2.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 63.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.77 -50.4 60.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 52.109999999999999 111.092 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.686 HD12 HG13 ' A' ' 14' ' ' VAL . 68.0 mt -58.31 -37.14 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.040000000000006 111.083 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -31.87 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.030000000000001 111.104 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.12 -21.49 61.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 63.310000000000002 110.886 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -89.02 -33.74 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.905 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -93.22 8.76 38.93 Favored 'General case' 0 C--O 1.207 -1.133 0 CA-C-O 121.786 0.803 . . . . 71.019999999999996 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.871 0 CA-C-N 116.144 -0.48 . . . . 52.109999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 42.119999999999997 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.84 -12.25 39.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 70.129999999999995 110.936 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.86 -27.5 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.95 -15.55 48.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 51.549999999999997 112.5 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.17 -25.22 5.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 71.340000000000003 111.182 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.75 -33.75 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 110.949 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.11 -32.65 63.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 111.129 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -25.33 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.019999999999996 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.32 -30.27 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 71.239999999999995 111.127 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -19.87 55.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.150000000000006 111.123 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.84 -1.88 40.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.63 91.02 3.46 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-O 118.425 -0.797 . . . . 63.450000000000003 110.889 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 17' ' ' ILE . 4.5 t -86.45 5.69 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.78 -1.1 . . . . 73.409999999999997 111.14 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.31 -50.36 16.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 71.530000000000001 112.532 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.79 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 53.140000000000001 111.095 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.676 HD12 HG13 ' A' ' 14' ' ' VAL . 45.7 mt -60.41 -45.51 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 111.132 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -29.5 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 111.085 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.05 -21.42 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 73.540000000000006 110.876 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -27.3 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.859 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -113.81 -75.85 0.59 Allowed 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 121.754 0.788 . . . . 62.32 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.169 -0.469 . . . . 62.310000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.525 -0.23 . . . . 72.209999999999994 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -88.16 -12.3 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.841 0.353 . . . . 62.229999999999997 110.888 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.83 -27.56 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.0 -15.5 48.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 72.099999999999994 112.471 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.61 -25.39 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 64.310000000000002 111.111 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.58 -35.08 19.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.030000000000001 110.936 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.42 -33.85 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 51.329999999999998 111.08 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -25.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.140000000000001 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.07 -30.41 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 65.439999999999998 111.068 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.09 -18.8 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 44.240000000000002 111.082 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.37 -8.06 54.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 75.299999999999997 111.089 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 149.01 6.85 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.41 -0.805 . . . . 75.400000000000006 110.838 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG13 HD12 ' A' ' 17' ' ' ILE . 12.6 t -144.03 55.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 64.349999999999994 111.176 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.48 8.89 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 63.43 112.499 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.15 -53.36 58.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 53.210000000000001 111.091 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.428 HD12 HG13 ' A' ' 14' ' ' VAL . 63.5 mt -60.38 -32.55 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.129999999999995 111.124 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.25 75.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 70.549999999999997 111.147 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.65 -21.51 66.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 65.239999999999995 110.896 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -85.87 -29.18 23.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.898 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -93.65 8.36 41.18 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 121.799 0.809 . . . . 61.030000000000001 110.872 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.887 0 CA-C-N 116.163 -0.471 . . . . 41.210000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.454 -0.259 . . . . 73.310000000000002 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.31 -12.22 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 72.239999999999995 110.932 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.84 -27.5 30.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.09 -15.41 48.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 73.209999999999994 112.51 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.04 -54.6 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 74.239999999999995 111.13 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.74 -30.62 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 72.040000000000006 110.93 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.96 -36.54 67.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.049999999999997 111.046 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -57.77 -33.67 68.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.219999999999999 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.38 -30.44 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.119999999999997 111.116 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.39 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 111.098 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.6 -11.78 19.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 73.329999999999998 111.129 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.19 106.6 0.14 Allowed 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 118.39 -0.814 . . . . 73.530000000000001 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 t -144.0 55.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 114.843 -1.071 . . . . 65.120000000000005 111.158 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.59 -68.98 1.33 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 75.400000000000006 112.5 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.55 92.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.328 . . . . 75.030000000000001 111.131 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mt -57.77 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 111.143 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.2 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 63.149999999999999 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.03 -21.56 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 73.420000000000002 110.86 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -40.4 85.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.862 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -90.02 -8.58 51.22 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 121.727 0.775 . . . . 71.430000000000007 110.806 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.848 0 CA-C-N 116.212 -0.449 . . . . 62.32 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.466 -0.253 . . . . 71.030000000000001 112.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.522 HD12 ' H ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -90.01 -16.05 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 63.200000000000003 110.913 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -54.82 -25.55 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.22 -13.46 54.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 74.299999999999997 112.475 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.45 -24.83 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 65.099999999999994 111.129 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.54 -27.72 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 110.89 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.72 -37.36 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 53.439999999999998 111.129 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -25.88 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 75.430000000000007 110.873 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.43 -30.49 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 45.340000000000003 111.106 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -19.46 55.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.3 -8.32 53.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 72.549999999999997 111.078 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.92 151.45 31.69 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 118.42 -0.8 . . . . 65.150000000000006 110.827 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.8 p -124.46 5.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.798 -1.092 . . . . 74.439999999999998 111.127 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -33.06 72.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 54.109999999999999 112.486 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.307 . . . . 60.539999999999999 111.096 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.77 -44.53 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.420000000000002 111.111 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.8 -29.18 64.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.310000000000002 111.108 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.71 -21.49 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -94.29 -28.34 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 62.240000000000002 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.05 -10.89 45.77 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-O 121.801 0.81 . . . . 73.340000000000003 110.941 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.878 0 CA-C-N 116.12 -0.491 . . . . 4.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 64.120000000000005 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.524 HD12 ' H ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -89.86 -16.08 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 73.310000000000002 110.922 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -54.82 -25.59 29.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.16 -13.6 53.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 73.340000000000003 112.49 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -85.48 -51.35 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 75.409999999999997 111.11 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -30.46 69.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 65.430000000000007 110.907 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.09 -35.49 66.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 111.116 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -31.02 68.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.912 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.0 t -68.53 -30.42 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 111.149 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.4 49.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.109999999999999 111.088 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.59 -8.31 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 71.430000000000007 111.076 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 151.38 33.94 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 118.391 -0.814 . . . . 74.299999999999997 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.8 p -98.55 5.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 114.842 -1.072 . . . . 63.450000000000003 111.098 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.36 -48.67 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 72.099999999999994 112.471 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.96 -50.92 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 40.509999999999998 111.083 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.8 mt -59.73 -48.8 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.530000000000001 111.158 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -26.58 65.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 111.096 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -76.51 -21.51 55.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.219999999999999 110.896 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -81.01 -27.97 35.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 51.520000000000003 110.882 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -122.18 26.02 8.71 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-O 121.808 0.813 . . . . 75.519999999999996 110.877 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.518 7.894 0 CA-C-N 116.175 -0.466 . . . . 52.240000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.481 -0.248 . . . . 75.420000000000002 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.528 HD12 ' H ' ' A' ' 2' ' ' LEU . 2.2 mp -89.83 -12.21 39.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 64.310000000000002 110.909 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -53.9 -27.42 30.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -15.41 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 44.43 112.455 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.27 -38.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 42.450000000000003 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.05 -27.34 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.4 -28.8 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 54.140000000000001 111.098 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -29.59 68.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 73.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.56 -29.98 32.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.049999999999997 111.15 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.95 55.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 75.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.29 -3.49 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.25 111.074 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.77 90.83 3.42 Favored 'General case' 0 C--O 1.216 -0.71 0 CA-C-O 118.359 -0.829 . . . . 74.040000000000006 110.863 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' I4G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 t -144.01 55.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.803 -1.09 . . . . 42.210000000000001 111.124 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.41 -67.1 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 70.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.7 -37.71 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.239999999999995 111.107 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.7 mm -51.39 -36.85 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 63.539999999999999 111.116 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.17 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.219999999999999 111.123 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.27 -21.52 66.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 72.439999999999998 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -81.23 -39.97 24.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 73.439999999999998 110.875 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -101.05 20.15 16.11 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-O 121.781 0.8 . . . . 74.430000000000007 110.859 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.517 7.87 0 CA-C-N 116.15 -0.477 . . . . 53.329999999999998 . . . . . . . . . . 1 1 . 1 stop_ save_